(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol

C16H32N2O3S — CID 97334048

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol
SMILESCC1CCN(C[C@H](O)CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1
InChIInChI=1S/C16H32N2O3S/c1-13-7-9-18(10-8-13)12-14(19)11-17-15-5-3-4-6-16(15)22(2,20)21/h13-17,19H,3-12H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyIBKYVEJZYBSDGS-OAGGEKHMSA-N
MW332.51 g/mol
LogP1.02
Rot. Bonds6

About (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol

(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol (PubChem CID 97334048) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol
PubChem CID97334048
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol
SMILESCC1CCN(C[C@H](O)CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1
InChIInChI=1S/C16H32N2O3S/c1-13-7-9-18(10-8-13)12-14(19)11-17-15-5-3-4-6-16(15)22(2,20)21/h13-17,19H,3-12H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyIBKYVEJZYBSDGS-OAGGEKHMSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-[(2-methylsulfonylcyclohexyl)amino]propan-2-ol
CID 75471733
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81328585
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 64909797
(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol
CID 97023768
N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
CID 115910643
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclohexan-1-ol
CID 62360030

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol (CID 97334048) is (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol is CC1CCN(C[C@H](O)CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol?
The InChIKey is IBKYVEJZYBSDGS-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-13-7-9-18(10-8-13)12-14(19)11-17-15-5-3-4-6-16(15)22(2,20)21/h13-17,19H,3-12H2,1-2H3/t14-,15-,16+/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol?
(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol has a molecular weight of 332.51 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 97334048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).