4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol

C12H18N2O3S — CID 106593692

IUPAC4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(NC2CCC(O)CC2)cn1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)12-7-4-10(8-13-12)14-9-2-5-11(15)6-3-9/h4,7-9,11,14-15H,2-3,5-6H2,1H3
InChIKeyBNCQWGZVVKSKDZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.20
Rot. Bonds3

About 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol

4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 106593692) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol
PubChem CID106593692
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(NC2CCC(O)CC2)cn1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)12-7-4-10(8-13-12)14-9-2-5-11(15)6-3-9/h4,7-9,11,14-15H,2-3,5-6H2,1H3
InChIKeyBNCQWGZVVKSKDZ-UHFFFAOYSA-N
XLogP1.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol (CID 106593692) is 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol is CS(=O)(=O)c1ccc(NC2CCC(O)CC2)cn1.
What is the InChIKey of 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is BNCQWGZVVKSKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)12-7-4-10(8-13-12)14-9-2-5-11(15)6-3-9/h4,7-9,11,14-15H,2-3,5-6H2,1H3.
What are the key properties of 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol?
4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 270.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 106593692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).