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

C13H20N2O3S — CID 114598842

IUPAC[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
SMILESCS(=O)(=O)c1cccnc1NC1(CO)CCCCC1
InChIInChI=1S/C13H20N2O3S/c1-19(17,18)11-6-5-9-14-12(11)15-13(10-16)7-3-2-4-8-13/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyHUCCPQWLBRHJNB-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.59
Rot. Bonds4

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

[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 114598842) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID114598842
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
SMILESCS(=O)(=O)c1cccnc1NC1(CO)CCCCC1
InChIInChI=1S/C13H20N2O3S/c1-19(17,18)11-6-5-9-14-12(11)15-13(10-16)7-3-2-4-8-13/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyHUCCPQWLBRHJNB-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
CID 55082636
3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214723
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 62520137
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731831
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
CID 62940974
[1-[(3-aminopyrazin-2-yl)amino]cyclohexyl]methanol
CID 102984251
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 114598974
[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol (CID 114598842) is [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol is CS(=O)(=O)c1cccnc1NC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is HUCCPQWLBRHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-19(17,18)11-6-5-9-14-12(11)15-13(10-16)7-3-2-4-8-13/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,14,15).
What are the key properties of [1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol?
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 284.38 g/mol, XLogP of 1.59, 4 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]cyclohexyl]methanol is sourced from PubChem (CID 114598842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).