2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol

C16H32N2O3S — CID 84595718

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol
SMILESCC(C)N(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C16H32N2O3S/c1-13(2)18(15-8-4-5-9-16(15)19)12-14-7-6-10-17(11-14)22(3,20)21/h13-16,19H,4-12H2,1-3H3
InChIKeyIRYVKQPJWVWHGZ-UHFFFAOYSA-N
MW332.51 g/mol
LogP1.67
Rot. Bonds5

About 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol

2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol (PubChem CID 84595718) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol
PubChem CID84595718
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol
SMILESCC(C)N(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C16H32N2O3S/c1-13(2)18(15-8-4-5-9-16(15)19)12-14-7-6-10-17(11-14)22(3,20)21/h13-16,19H,4-12H2,1-3H3
InChIKeyIRYVKQPJWVWHGZ-UHFFFAOYSA-N
XLogP1.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-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

2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636407
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanethioamide
CID 79612367
N'-(2-methylpropyl)-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 79609989
3-[(1S)-1-[ethyl-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]amino]ethyl]phenol
CID 97045250
3-[(1R)-1-[ethyl-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]amino]ethyl]phenol
CID 98792461
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
CID 79623241
2-[2-(dimethylamino)ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetic acid
CID 107425042
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79609473
1-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 115278735

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol (CID 84595718) is 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol is CC(C)N(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
The InChIKey is IRYVKQPJWVWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-13(2)18(15-8-4-5-9-16(15)19)12-14-7-6-10-17(11-14)22(3,20)21/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol has a molecular weight of 332.51 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol is sourced from PubChem (CID 84595718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).