(2S)-N,N-Dimethyl-2-(Phenylmethyl)-1-Aziridinesulfonamide

CAS: 902146-43-4 | C11H16N2O2S

Loading 3D structure...

CAS Registry Number: 902146-43-4

Molecular Formula: C11H16N2O2S

Molecular Mass: 240.33 g/mol

(2S)-N,N-Dimethyl-2-(Phenylmethyl)-1-Aziridinesulfonamide

1-Aziridinesulfonamide, N,N-dimethyl-2-(phenylmethyl)-, (2S)-

(2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide

(S)-2-Benzyl-N,N-dimethylaziridine-1-sulfonamide

(2S)-2-Benzyl-N,N-dimethylaziridine-1-sulfonamide

CN(C)S(=O)(=O)N1C[C@@H]1Cc1ccccc1

InChI=1S/C11H16N2O2S/c1-12(2)16(14,15)13-9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-,13?/m0/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	240.33 g/mol	CAS Common Chemistry
	240.328 g/mol	RDKit
	240.093248752 g/mol	RDKit
Canonical SMILES	O=S(=O)(N(C)C)N1CC1CC=2C=CC=CC2	CAS Common Chemistry
InChI	InChI=1S/C11H16N2O2S/c1-12(2)16(14,15)13-9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-,13?/m0/s1	CAS Common Chemistry
InChI Key	InChIKey=BLDWVIFYJWKNPQ-AMGKYWFPSA-N	CAS Common Chemistry
Name	(2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	4	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	40.39 Å²	RDKit
LogP	0.7196999999999998	RDKit
Molar Refractivity	63.24680000000004	RDKit