N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide

C17H29NO2S — CID 53487457

IUPACN-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@@H](O)C[C@H](NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-13(2)11-15(19)12-16(14-9-7-6-8-10-14)18-21(20)17(3,4)5/h6-10,13,15-16,18-19H,11-12H2,1-5H3/t15-,16+,21?/m1/s1
InChIKeySVXPNFIOLDHMTM-ZQIYAJFXSA-N
MW311.49 g/mol
LogP3.58
Rot. Bonds7

About N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide

N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide (PubChem CID 53487457) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
PubChem CID53487457
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@@H](O)C[C@H](NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-13(2)11-15(19)12-16(14-9-7-6-8-10-14)18-21(20)17(3,4)5/h6-10,13,15-16,18-19H,11-12H2,1-5H3/t15-,16+,21?/m1/s1
InChIKeySVXPNFIOLDHMTM-ZQIYAJFXSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 124640307
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
ethyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-4-phenylbutanoate
CID 71661762
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(R)-2-methyl-N-[(1R)-3-methyl-1-[methyl(diphenyl)silyl]butyl]propane-2-sulfinamide
CID 24750122
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide (CID 53487457) is N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide is CC(C)C[C@@H](O)C[C@H](NS(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SVXPNFIOLDHMTM-ZQIYAJFXSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-13(2)11-15(19)12-16(14-9-7-6-8-10-14)18-21(20)17(3,4)5/h6-10,13,15-16,18-19H,11-12H2,1-5H3/t15-,16+,21?/m1/s1.
What are the key properties of N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide?
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide has a molecular weight of 311.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 53487457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).