6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C13H21N3O3S — CID 103623850

IUPAC6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCC(O)CC2)nc1
InChIInChI=1S/C13H21N3O3S/c1-16(2)20(18,19)12-7-8-13(14-9-12)15-10-3-5-11(17)6-4-10/h7-11,17H,3-6H2,1-2H3,(H,14,15)
InChIKeyKMPDCELYCXIQLW-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds4

About 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103623850) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103623850
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCC(O)CC2)nc1
InChIInChI=1S/C13H21N3O3S/c1-16(2)20(18,19)12-7-8-13(14-9-12)15-10-3-5-11(17)6-4-10/h7-11,17H,3-6H2,1-2H3,(H,14,15)
InChIKeyKMPDCELYCXIQLW-UHFFFAOYSA-N
XLogP1.05
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-(pyrrolidin-3-ylamino)pyridine-3-sulfonamide
CID 103341109
6-[(2-aminocyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341119
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 106362373
4-anilino-N-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-1-carboxamide
CID 146128965
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N-cyclopropyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 96664227
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 106365560
N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 98018239
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103623850) is 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NC2CCC(O)CC2)nc1.
What is the InChIKey of 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is KMPDCELYCXIQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(2)20(18,19)12-7-8-13(14-9-12)15-10-3-5-11(17)6-4-10/h7-11,17H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103623850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).