6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C14H26N4O2S — CID 107159183

IUPAC6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(N)CC(C)(C)C)nc1
InChIInChI=1S/C14H26N4O2S/c1-14(2,3)8-11(15)9-16-13-7-6-12(10-17-13)21(19,20)18(4)5/h6-7,10-11H,8-9,15H2,1-5H3,(H,16,17)
InChIKeyOSXLIXJINNZOGB-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.51
Rot. Bonds6

About 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 107159183) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID107159183
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(N)CC(C)(C)C)nc1
InChIInChI=1S/C14H26N4O2S/c1-14(2,3)8-11(15)9-16-13-7-6-12(10-17-13)21(19,20)18(4)5/h6-7,10-11H,8-9,15H2,1-5H3,(H,16,17)
InChIKeyOSXLIXJINNZOGB-UHFFFAOYSA-N
XLogP1.51
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 107159183) is 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCC(N)CC(C)(C)C)nc1.
What is the InChIKey of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is OSXLIXJINNZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-14(2,3)8-11(15)9-16-13-7-6-12(10-17-13)21(19,20)18(4)5/h6-7,10-11H,8-9,15H2,1-5H3,(H,16,17).
What are the key properties of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 107159183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).