(3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine

C20H24N2O2S — CID 15816893

IUPAC(3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine
SMILESC[C@H](c1ccccc1)N(C)C1=N[C@@]1(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-16(17-10-6-4-7-11-17)22(3)19-20(2,21-19)14-15-25(23,24)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-,20+/m1/s1
InChIKeyHLSVVAGMKYUYEW-UZLBHIALSA-N
MW356.49 g/mol
LogP3.71
Rot. Bonds6

About (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine

(3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine (PubChem CID 15816893) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine.

Molecular Properties

Compound Name(3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine
PubChem CID15816893
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine
SMILESC[C@H](c1ccccc1)N(C)C1=N[C@@]1(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-16(17-10-6-4-7-11-17)22(3)19-20(2,21-19)14-15-25(23,24)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-,20+/m1/s1
InChIKeyHLSVVAGMKYUYEW-UZLBHIALSA-N
XLogP3.71
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
(1R,2S)-2-[2-(benzenesulfonyl)ethyl-methylamino]-1-phenylpropan-1-ol
CID 11256082
N-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 12844430
N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
CID 78799694
5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 32906703
[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane
CID 13173223
2-[3-(benzenesulfonyl)propanoyl-methylamino]propanoic acid
CID 62627813
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105
[(3R)-3-methylhex-5-enyl]sulfonylbenzene
CID 141118186
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534
N-[(fluoro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101412503
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine?
The IUPAC name of (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine (CID 15816893) is (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine.
What is the SMILES notation for (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine?
The canonical SMILES for (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine is C[C@H](c1ccccc1)N(C)C1=N[C@@]1(C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine?
The InChIKey is HLSVVAGMKYUYEW-UZLBHIALSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16(17-10-6-4-7-11-17)22(3)19-20(2,21-19)14-15-25(23,24)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-,20+/m1/s1.
What are the key properties of (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine?
(3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine has a molecular weight of 356.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine is sourced from PubChem (CID 15816893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).