(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide

C15H24ClNO2S — CID 135061289

IUPAC(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](O)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2S/c1-10(2)14(18)13(17-20(19)15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13-14,17-18H,1-5H3/t13-,14+,20+/m0/s1
InChIKeyOSZWUMDICXBVGY-LRDNONRASA-N
MW317.88 g/mol
LogP3.45
Rot. Bonds5

About (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide (PubChem CID 135061289) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
PubChem CID135061289
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](O)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2S/c1-10(2)14(18)13(17-20(19)15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13-14,17-18H,1-5H3/t13-,14+,20+/m0/s1
InChIKeyOSZWUMDICXBVGY-LRDNONRASA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(S)-N-[(1R)-1-(4-chlorophenyl)-3-fluorobut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093252
(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
CID 163838446
N-[(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-methylpropane-2-sulfinamide
CID 166110904
(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 58172166
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
N-[(1R,2R)-1,2-bis(4-bromophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 53241861
methyl 3-(tert-butylsulfinylamino)-2-fluoro-3-(4-methylphenyl)propanoate
CID 122210222
N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 121362441
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide (CID 135061289) is (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide is CC(C)[C@@H](O)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OSZWUMDICXBVGY-LRDNONRASA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-10(2)14(18)13(17-20(19)15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13-14,17-18H,1-5H3/t13-,14+,20+/m0/s1.
What are the key properties of (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 317.88 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135061289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).