(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide

C16H26ClNOS — CID 163838446

IUPAC(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@H](N[S@@](=O)C(C)(C)C)C(C)C)cc(C)c1Cl
InChIInChI=1S/C16H26ClNOS/c1-10(2)15(18-20(19)16(5,6)7)13-8-11(3)14(17)12(4)9-13/h8-10,15,18H,1-7H3/t15-,20+/m1/s1
InChIKeyOJVJRRLQEJKMRK-QRWLVFNGSA-N
MW315.91 g/mol
LogP4.71
Rot. Bonds4

About (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 163838446) has the molecular formula C16H26ClNOS and a molecular weight of 315.91 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID163838446
Molecular FormulaC16H26ClNOS
Molecular Weight315.91 g/mol
Exact Mass315.14
IUPAC Name(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@H](N[S@@](=O)C(C)(C)C)C(C)C)cc(C)c1Cl
InChIInChI=1S/C16H26ClNOS/c1-10(2)15(18-20(19)16(5,6)7)13-8-11(3)14(17)12(4)9-13/h8-10,15,18H,1-7H3/t15-,20+/m1/s1
InChIKeyOJVJRRLQEJKMRK-QRWLVFNGSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11483827
N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 134920343
(S)-N-[(1R)-1-(4-chlorophenyl)-3-fluorobut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093252
(R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 56930329
(S)-N-((R)-1-(4-chloro-2-fluorophenyl)ethyl)-2-methylpropane-2-sulfinamide
CID 57781961
N-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 57781973
(R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 58109223
(R)-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 58109607
2-Methyl-propane-2-sulfinic acid [1-(4-chloro-phenyl)-3-(4-trifluoromethyl-phenyl)-propyl]-amide
CID 59553654
N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 66856420
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 66856990
(R)-2-Methyl-propane-2-sulfinic acid [(S)-1-(4-chloro-3,5-dimethyl-phenyl)-2,2,2-trifluoro-ethyl]-amide
CID 67345793

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide (CID 163838446) is (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide is Cc1cc([C@H](N[S@@](=O)C(C)(C)C)C(C)C)cc(C)c1Cl.
What is the InChIKey of (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OJVJRRLQEJKMRK-QRWLVFNGSA-N. The full InChI is InChI=1S/C16H26ClNOS/c1-10(2)15(18-20(19)16(5,6)7)13-8-11(3)14(17)12(4)9-13/h8-10,15,18H,1-7H3/t15-,20+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 315.91 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163838446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).