5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide

C13H20N2O3S2 — CID 106000954

IUPAC5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2ccc(CO)cn2)CC1
InChIInChI=1S/C13H20N2O3S2/c1-19-12-5-3-11(4-6-12)15-20(17,18)13-7-2-10(9-16)8-14-13/h2,7-8,11-12,15-16H,3-6,9H2,1H3
InChIKeyIZYHBAGUISZGLP-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.53
Rot. Bonds5

About 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide

5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide (PubChem CID 106000954) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
PubChem CID106000954
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2ccc(CO)cn2)CC1
InChIInChI=1S/C13H20N2O3S2/c1-19-12-5-3-11(4-6-12)15-20(17,18)13-7-2-10(9-16)8-14-13/h2,7-8,11-12,15-16H,3-6,9H2,1H3
InChIKeyIZYHBAGUISZGLP-UHFFFAOYSA-N
XLogP1.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
5-(hydroxymethyl)-N-(2-methyloxolan-3-yl)pyridine-2-sulfonamide
CID 114135348
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106001152
1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001768
5-(aminomethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114552024
[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid
CID 70937541
4-(hydroxymethyl)-2-methoxy-N-(3-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001705
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106000983

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide (CID 106000954) is 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide is CSC1CCC(NS(=O)(=O)c2ccc(CO)cn2)CC1.
What is the InChIKey of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide?
The InChIKey is IZYHBAGUISZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-19-12-5-3-11(4-6-12)15-20(17,18)13-7-2-10(9-16)8-14-13/h2,7-8,11-12,15-16H,3-6,9H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide?
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106000954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).