N-[(1S)-1-phenylethyl]methanesulfonamide

C9H13NO2S — CID 10655615

IUPACN-[(1S)-1-phenylethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-8(10-13(2,11)12)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
InChIKeySHEXGLJFVVRUCZ-QMMMGPOBSA-N
MW199.28 g/mol
LogP1.30
Rot. Bonds3

About N-[(1S)-1-phenylethyl]methanesulfonamide

N-[(1S)-1-phenylethyl]methanesulfonamide (PubChem CID 10655615) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]methanesulfonamide
PubChem CID10655615
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-[(1S)-1-phenylethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-8(10-13(2,11)12)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
InChIKeySHEXGLJFVVRUCZ-QMMMGPOBSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenethylamine
CID 7408
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
(1S)-1-phenylpropan-1-amine
CID 6993773
1-Phenylpropan-1-amine
CID 18054
N-benzylaminosulfonamide
CID 12354987
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-
CID 109962
N-Phenethylmethanesulfonamide
CID 118569
Ethanethiol, 2-amino-2-phenyl-
CID 19043007
4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
1-Phenylbutan-1-amine
CID 3603785
2-Methyl-1-phenylpropan-1-amine
CID 4962875

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-phenylethyl]methanesulfonamide (CID 10655615) is N-[(1S)-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]methanesulfonamide is C[C@H](NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]methanesulfonamide?
The InChIKey is SHEXGLJFVVRUCZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-8(10-13(2,11)12)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]methanesulfonamide?
N-[(1S)-1-phenylethyl]methanesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 10655615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).