(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide

C13H21NO3S — CID 97025412

IUPAC(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
SMILESCC[C@H](C)CS(=O)(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-11(2)10-18(16,17)14-9-13(15)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyRGCHVTNUHZXLLH-WCQYABFASA-N
MW271.38 g/mol
LogP1.69
Rot. Bonds7

About (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide

(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide (PubChem CID 97025412) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
PubChem CID97025412
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
SMILESCC[C@H](C)CS(=O)(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-11(2)10-18(16,17)14-9-13(15)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyRGCHVTNUHZXLLH-WCQYABFASA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 112511125
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide
CID 111448439
N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
CID 111440038
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502422
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
1-[[(2S)-2-hydroxy-2-phenylethyl]amino]propane-2-sulfonic acid
CID 87095458

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide?
The IUPAC name of (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide (CID 97025412) is (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide?
The canonical SMILES for (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide is CC[C@H](C)CS(=O)(=O)NC[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide?
The InChIKey is RGCHVTNUHZXLLH-WCQYABFASA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-11(2)10-18(16,17)14-9-13(15)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide?
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 97025412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).