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

C10H15NO2S — CID 11321835

IUPACN-[(1S)-1-phenylpropyl]methanesulfonamide
SMILESCC[C@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-3-10(11-14(2,12)13)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3/t10-/m0/s1
InChIKeyKSGMQXRDQWXTMW-JTQLQIEISA-N
MW213.30 g/mol
LogP1.69
Rot. Bonds4

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

N-[(1S)-1-phenylpropyl]methanesulfonamide (PubChem CID 11321835) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[(1S)-1-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylpropyl]methanesulfonamide
PubChem CID11321835
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-[(1S)-1-phenylpropyl]methanesulfonamide
SMILESCC[C@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-3-10(11-14(2,12)13)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3/t10-/m0/s1
InChIKeyKSGMQXRDQWXTMW-JTQLQIEISA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide
CID 173213737
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
CID 63421088
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
CID 106055066
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238
N-(1-phenylpropyl)piperazine-1-sulfonamide
CID 62304382
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylpropyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-phenylpropyl]methanesulfonamide (CID 11321835) is N-[(1S)-1-phenylpropyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-phenylpropyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-phenylpropyl]methanesulfonamide is CC[C@H](NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylpropyl]methanesulfonamide?
The InChIKey is KSGMQXRDQWXTMW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-10(11-14(2,12)13)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-phenylpropyl]methanesulfonamide?
N-[(1S)-1-phenylpropyl]methanesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 11321835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).