N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine

C20H32N2O2S — CID 167892083

IUPACN-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O2S/c1-25(23,24)20-10-6-5-9-19(20)21-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-4,7-8,18-21H,5-6,9-16H2,1H3/t19-,20-/m1/s1
InChIKeyVJKFMHFLHDBCSQ-WOJBJXKFSA-N
MW364.56 g/mol
LogP2.64
Rot. Bonds6

About N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine

N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 167892083) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID167892083
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O2S/c1-25(23,24)20-10-6-5-9-19(20)21-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-4,7-8,18-21H,5-6,9-16H2,1H3/t19-,20-/m1/s1
InChIKeyVJKFMHFLHDBCSQ-WOJBJXKFSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
CID 115910643
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 122556302
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
N-ethenyl-1-(2-phenylethyl)piperidin-4-amine
CID 166738231
1,4-bis(2-phenylethyl)piperidine
CID 86059939
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine (CID 167892083) is N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine is CS(=O)(=O)[C@@H]1CCCC[C@H]1NC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is VJKFMHFLHDBCSQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-25(23,24)20-10-6-5-9-19(20)21-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-4,7-8,18-21H,5-6,9-16H2,1H3/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 364.56 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 167892083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).