N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide

C12H18N4O2S — CID 115752426

IUPACN-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H18N4O2S/c1-3-12(4-2,9-14)16-19(17,18)11-6-5-10(7-13)15-8-11/h5-6,8,16H,3-4,9,14H2,1-2H3
InChIKeyUTDLISFWQCKHTM-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.75
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide (PubChem CID 115752426) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
PubChem CID115752426
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H18N4O2S/c1-3-12(4-2,9-14)16-19(17,18)11-6-5-10(7-13)15-8-11/h5-6,8,16H,3-4,9,14H2,1-2H3
InChIKeyUTDLISFWQCKHTM-UHFFFAOYSA-N
XLogP0.75
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide (CID 115752426) is N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide is CCC(CC)(CN)NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide?
The InChIKey is UTDLISFWQCKHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-12(4-2,9-14)16-19(17,18)11-6-5-10(7-13)15-8-11/h5-6,8,16H,3-4,9,14H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 115752426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).