(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol

C16H26N2O3S — CID 97023768

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol
SMILESCC1CCN(C[C@H](O)CNc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O3S/c1-13-7-9-18(10-8-13)12-14(19)11-17-15-5-3-4-6-16(15)22(2,20)21/h3-6,13-14,17,19H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyMRLREOXLKNAEOX-CQSZACIVSA-N
MW326.46 g/mol
LogP1.59
Rot. Bonds6

About (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol

(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol (PubChem CID 97023768) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol
PubChem CID97023768
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol
SMILESCC1CCN(C[C@H](O)CNc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O3S/c1-13-7-9-18(10-8-13)12-14(19)11-17-15-5-3-4-6-16(15)22(2,20)21/h3-6,13-14,17,19H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyMRLREOXLKNAEOX-CQSZACIVSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol 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

1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide
CID 97243163
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylsulfonylaniline
CID 71978131
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
5-chloro-2-[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]benzonitrile
CID 133337915
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111368
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylsulfonylaniline
CID 60856551
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
CID 111112699
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol (CID 97023768) is (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol is CC1CCN(C[C@H](O)CNc2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol?
The InChIKey is MRLREOXLKNAEOX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-7-9-18(10-8-13)12-14(19)11-17-15-5-3-4-6-16(15)22(2,20)21/h3-6,13-14,17,19H,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol?
(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol has a molecular weight of 326.46 g/mol, XLogP of 1.59, 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-(2-methylsulfonylanilino)propan-2-ol is sourced from PubChem (CID 97023768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).