N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide

C11H19N3O2S — CID 114152612

IUPACN-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-3-11(2,6-7-12)14-17(15,16)10-5-4-8-13-9-10/h4-5,8-9,14H,3,6-7,12H2,1-2H3
InChIKeyKJOQBBWAKZYTCB-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.88
Rot. Bonds6

About N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide

N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide (PubChem CID 114152612) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide
PubChem CID114152612
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-3-11(2,6-7-12)14-17(15,16)10-5-4-8-13-9-10/h4-5,8-9,14H,3,6-7,12H2,1-2H3
InChIKeyKJOQBBWAKZYTCB-UHFFFAOYSA-N
XLogP0.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
CID 43624461
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
CID 61128072
N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
CID 106165353
N-propylpyridine-3-sulfonamide
CID 43258995
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
CID 106170023
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 106165227
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
CID 106165234

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide (CID 114152612) is N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide is CCC(C)(CCN)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide?
The InChIKey is KJOQBBWAKZYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-11(2,6-7-12)14-17(15,16)10-5-4-8-13-9-10/h4-5,8-9,14H,3,6-7,12H2,1-2H3.
What are the key properties of N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide?
N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114152612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).