1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine

C18H28N2O2S — CID 119979767

IUPAC1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O2S/c1-19-17-11-13-20(14-12-17)23(21,22)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h7-10,15,17,19H,2-6,11-14H2,1H3
InChIKeyCIXFKCFVWQEFPU-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine

1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119979767) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID119979767
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O2S/c1-19-17-11-13-20(14-12-17)23(21,22)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h7-10,15,17,19H,2-6,11-14H2,1H3
InChIKeyCIXFKCFVWQEFPU-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 18196363
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
1-(4-cyclohexylphenyl)sulfonylazetidin-3-amine
CID 65244291
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2932492
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971791

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine (CID 119979767) is 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is CIXFKCFVWQEFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-19-17-11-13-20(14-12-17)23(21,22)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h7-10,15,17,19H,2-6,11-14H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine?
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 336.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119979767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).