N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide

C10H15NO3S — CID 95368033

IUPACN-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
SMILESC[C@@](O)(CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-10(12,8-11-15(2,13)14)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3/t10-/m1/s1
InChIKeyMNLAZCJSOSFICV-SNVBAGLBSA-N
MW229.30 g/mol
LogP0.44
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide

N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide (PubChem CID 95368033) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
PubChem CID95368033
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
SMILESC[C@@](O)(CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-10(12,8-11-15(2,13)14)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3/t10-/m1/s1
InChIKeyMNLAZCJSOSFICV-SNVBAGLBSA-N
XLogP0.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
CID 110664052
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
3-cyano-N-(2-hydroxy-2-phenylpropyl)propane-1-sulfonamide
CID 71911317
5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
5-ethyl-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 110664046
N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide
CID 102043543
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
pentakis(tert-butylbenzene);N-ethylmethanesulfonamide;fluoromethane;methylsulfonylmethane;propan-2-one
CID 159211985
N-[(2R)-2-hydroxy-2-phenylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97065266

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide (CID 95368033) is N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide is C[C@@](O)(CNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide?
The InChIKey is MNLAZCJSOSFICV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(12,8-11-15(2,13)14)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide?
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 95368033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).