N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide

C17H27NO3S — CID 101492060

IUPACN-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@]2(O)CCCC[C@@H]2NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO3S/c1-16(2,3)22(20)18-15-7-5-6-12-17(15,19)13-8-10-14(21-4)11-9-13/h8-11,15,18-19H,5-7,12H2,1-4H3/t15-,17+,22?/m0/s1
InChIKeyHIQGYCIBOAFEMJ-DHVIMCKQSA-N
MW325.47 g/mol
LogP2.88
Rot. Bonds4

About N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide

N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide (PubChem CID 101492060) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide
PubChem CID101492060
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@]2(O)CCCC[C@@H]2NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO3S/c1-16(2,3)22(20)18-15-7-5-6-12-17(15,19)13-8-10-14(21-4)11-9-13/h8-11,15,18-19H,5-7,12H2,1-4H3/t15-,17+,22?/m0/s1
InChIKeyHIQGYCIBOAFEMJ-DHVIMCKQSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
CID 22476563
(R)-N-[(1S,2R)-2-tert-butyl-2-hydroxycyclohexyl]-2-methylpropane-2-sulfinamide
CID 135068976
N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide;N-[(1S,2S)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
CID 159569007
trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol
CID 102137510
7-(4-methoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331888
N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide
CID 10292869
cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
CID 57265905
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-ol
CID 65094719
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-[2-[4-[(2-cyanophenyl)methoxy]phenyl]-2-hydroxycyclohexyl]propane-2-sulfonamide
CID 10180996
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide (CID 101492060) is N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide is COc1ccc([C@]2(O)CCCC[C@@H]2NS(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HIQGYCIBOAFEMJ-DHVIMCKQSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-16(2,3)22(20)18-15-7-5-6-12-17(15,19)13-8-10-14(21-4)11-9-13/h8-11,15,18-19H,5-7,12H2,1-4H3/t15-,17+,22?/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide has a molecular weight of 325.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 101492060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).