1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine

C18H27NO2S — CID 92524259

IUPAC1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine
SMILESO=S(=O)([C@H](c1ccccc1)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C18H27NO2S/c20-22(21,19-14-8-3-9-15-19)18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2/t18-/m1/s1
InChIKeyKJDQONAHVBFISM-GOSISDBHSA-N
MW321.49 g/mol
LogP4.12
Rot. Bonds4

About 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine

1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine (PubChem CID 92524259) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine
PubChem CID92524259
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine
SMILESO=S(=O)([C@H](c1ccccc1)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C18H27NO2S/c20-22(21,19-14-8-3-9-15-19)18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2/t18-/m1/s1
InChIKeyKJDQONAHVBFISM-GOSISDBHSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bromo(phenyl)methyl]sulfonylpiperidine
CID 69157308
cyclohexyl(phenyl)methanesulfonic acid;4-methylbenzenesulfonic acid
CID 162323448
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
cyclohexyl(phenyl)methanamine
CID 11064121
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 18410311
N-(2-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine?
The IUPAC name of 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine (CID 92524259) is 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine.
What is the SMILES notation for 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine?
The canonical SMILES for 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine is O=S(=O)([C@H](c1ccccc1)C1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine?
The InChIKey is KJDQONAHVBFISM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27NO2S/c20-22(21,19-14-8-3-9-15-19)18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2/t18-/m1/s1.
What are the key properties of 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine?
1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine has a molecular weight of 321.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine is sourced from PubChem (CID 92524259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).