6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide

C14H23N3O3S — CID 106362373

IUPAC6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCCCC2CO)nc1
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(19,20)12-7-8-14(15-9-12)16-13-6-4-3-5-11(13)10-18/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,15,16)
InChIKeyAOOXJHSRMHGDBV-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.29
Rot. Bonds5

About 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide

6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 106362373) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID106362373
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCCCC2CO)nc1
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(19,20)12-7-8-14(15-9-12)16-13-6-4-3-5-11(13)10-18/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,15,16)
InChIKeyAOOXJHSRMHGDBV-UHFFFAOYSA-N
XLogP1.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 106365560
6-[(2-aminocyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341119
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103623850
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N,N-dimethyl-6-(pyrrolidin-3-ylamino)pyridine-3-sulfonamide
CID 103341109
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
CID 103341110

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide (CID 106362373) is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NC2CCCCC2CO)nc1.
What is the InChIKey of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is AOOXJHSRMHGDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17(2)21(19,20)12-7-8-14(15-9-12)16-13-6-4-3-5-11(13)10-18/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,15,16).
What are the key properties of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 106362373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).