N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide

C19H25NO2S — CID 53487467

IUPACN-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO2S/c1-19(2,3)23(22)20-17(15-10-6-4-7-11-15)14-18(21)16-12-8-5-9-13-16/h4-13,17-18,20-21H,14H2,1-3H3/t17-,18+,23?/m1/s1
InChIKeyCEAGFDFSBURDBY-BATLZEKGSA-N
MW331.48 g/mol
LogP3.90
Rot. Bonds6

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

N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 53487467) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID53487467
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO2S/c1-19(2,3)23(22)20-17(15-10-6-4-7-11-15)14-18(21)16-12-8-5-9-13-16/h4-13,17-18,20-21H,14H2,1-3H3/t17-,18+,23?/m1/s1
InChIKeyCEAGFDFSBURDBY-BATLZEKGSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703
ethyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-4-phenylbutanoate
CID 71661762
(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259
2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
CID 102173687
(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 124640307
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
CID 121314661
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide (CID 53487467) is N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](C[C@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CEAGFDFSBURDBY-BATLZEKGSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-19(2,3)23(22)20-17(15-10-6-4-7-11-15)14-18(21)16-12-8-5-9-13-16/h4-13,17-18,20-21H,14H2,1-3H3/t17-,18+,23?/m1/s1.
What are the key properties of N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide?
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 331.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 53487467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).