(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide

C14H21NO2S — CID 11288614

IUPAC(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
SMILESCC(=O)C[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(16)10-13(12-8-6-5-7-9-12)15-18(17)14(2,3)4/h5-9,13,15H,10H2,1-4H3/t13-,18+/m1/s1
InChIKeyPKIGDILNYOADIA-ACJLOTCBSA-N
MW267.39 g/mol
LogP2.76
Rot. Bonds5

About (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide (PubChem CID 11288614) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
PubChem CID11288614
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
SMILESCC(=O)C[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(16)10-13(12-8-6-5-7-9-12)15-18(17)14(2,3)4/h5-9,13,15H,10H2,1-4H3/t13-,18+/m1/s1
InChIKeyPKIGDILNYOADIA-ACJLOTCBSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
ethyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-4-phenylbutanoate
CID 71661762
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703
methyl (3S)-3-[4-[bis(phenylmethoxy)phosphorylmethyl]phenyl]-3-(tert-butylsulfinylamino)propanoate
CID 101209658
2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
CID 102173687
(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
(S)-N-[(1R)-1-(4-chlorophenyl)-3-fluorobut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093252
2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
CID 102140135

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide (CID 11288614) is (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide is CC(=O)C[C@@H](N[S@@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide?
The InChIKey is PKIGDILNYOADIA-ACJLOTCBSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(16)10-13(12-8-6-5-7-9-12)15-18(17)14(2,3)4/h5-9,13,15H,10H2,1-4H3/t13-,18+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide has a molecular weight of 267.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide is sourced from PubChem (CID 11288614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).