(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine

C16H32N2O2S — CID 99851277

IUPAC(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine
SMILESCCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H32N2O2S/c1-3-21(19,20)13-14(2)17-15-8-7-11-18(12-15)16-9-5-4-6-10-16/h14-17H,3-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyNVKYEWLNHFDHID-CABCVRRESA-N
MW316.51 g/mol
LogP2.20
Rot. Bonds6

About (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine

(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine (PubChem CID 99851277) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine
PubChem CID99851277
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine
SMILESCCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H32N2O2S/c1-3-21(19,20)13-14(2)17-15-8-7-11-18(12-15)16-9-5-4-6-10-16/h14-17H,3-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyNVKYEWLNHFDHID-CABCVRRESA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclohexylpiperidin-3-yl)methanesulfonamide
CID 86865548
N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine
CID 165477844
1-cyclooctyl-N-methylpiperidin-3-amine
CID 62536163
1-cyclohexyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995937
(4R)-4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852107
(4R)-4-[[(3S)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852109
N-[(1S)-1-cyclohexylethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81387724
N,1-dicyclohexylpiperidin-3-amine
CID 83999394
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 56913094

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine (CID 99851277) is (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine is CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(C2CCCCC2)C1.
What is the InChIKey of (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine?
The InChIKey is NVKYEWLNHFDHID-CABCVRRESA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-3-21(19,20)13-14(2)17-15-8-7-11-18(12-15)16-9-5-4-6-10-16/h14-17H,3-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine?
(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine has a molecular weight of 316.51 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine is sourced from PubChem (CID 99851277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).