[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol

C14H22N2O3S — CID 114599025

IUPAC[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESCS(=O)(=O)c1cccnc1NCC1(CO)CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)12-6-5-9-15-13(12)16-10-14(11-17)7-3-2-4-8-14/h5-6,9,17H,2-4,7-8,10-11H2,1H3,(H,15,16)
InChIKeyZQEXWGCUZRPIDI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.84
Rot. Bonds5

About [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol

[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol (PubChem CID 114599025) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
PubChem CID114599025
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESCS(=O)(=O)c1cccnc1NCC1(CO)CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)12-6-5-9-15-13(12)16-10-14(11-17)7-3-2-4-8-14/h5-6,9,17H,2-4,7-8,10-11H2,1H3,(H,15,16)
InChIKeyZQEXWGCUZRPIDI-UHFFFAOYSA-N
XLogP1.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 115360754
1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246
[1-[[(3-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113371010
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
CID 103967298
4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114598931
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234
3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 114598706

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol (CID 114599025) is [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol is CS(=O)(=O)c1cccnc1NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is ZQEXWGCUZRPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(18,19)12-6-5-9-15-13(12)16-10-14(11-17)7-3-2-4-8-14/h5-6,9,17H,2-4,7-8,10-11H2,1H3,(H,15,16).
What are the key properties of [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 298.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 114599025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).