4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C14H22N2O3S — CID 114598931

IUPAC4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-5-7-14(17,8-6-11)10-16-13-12(20(2,18)19)4-3-9-15-13/h3-4,9,11,17H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyXWBLXVMMHYHERQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.84
Rot. Bonds4

About 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol

4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 114598931) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID114598931
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-5-7-14(17,8-6-11)10-16-13-12(20(2,18)19)4-3-9-15-13/h3-4,9,11,17H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyXWBLXVMMHYHERQ-UHFFFAOYSA-N
XLogP1.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]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

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one
CID 65118452
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 114598931) is 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2ncccc2S(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XWBLXVMMHYHERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-5-7-14(17,8-6-11)10-16-13-12(20(2,18)19)4-3-9-15-13/h3-4,9,11,17H,5-8,10H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114598931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).