N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide

C13H20N4O2S — CID 106598661

IUPACN-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H20N4O2S/c1-10(2)11(15)6-8-17(3)20(18,19)13-5-4-7-16-12(13)9-14/h4-5,7,10-11H,6,8,15H2,1-3H3
InChIKeyNDVVQCKQXDPQQX-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.95
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide

N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide (PubChem CID 106598661) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
PubChem CID106598661
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H20N4O2S/c1-10(2)11(15)6-8-17(3)20(18,19)13-5-4-7-16-12(13)9-14/h4-5,7,10-11H,6,8,15H2,1-3H3
InChIKeyNDVVQCKQXDPQQX-UHFFFAOYSA-N
XLogP0.95
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
3-[1-(Benzenesulfonyl)-4-(methylaminomethyl)pyrrol-2-yl]pyridine-2-carbonitrile
CID 25007651
5-({4-[(Methylamino)methyl]-2-phenyl-1H-pyrrol-1-yl}sulfonyl)pyridine-2-carbonitrile hydrochloride
CID 57522481
3-[4-(Methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-2-yl]pyridine-2-carbonitrile
CID 67084262
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
Benzene-1,4-disulfonic acid 1-[(2-cyano-ethyl)-pyridin-3-ylmethyl-amide] 4-cyclohexylamide
CID 651113
N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 668758
2-Methylpyridine-3-sulfonamide
CID 22409057
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CID 4296455
4-Cyano-N-(2-pyridin-4-yl-ethyl)-benzenesulfonamide
CID 1460128
4-Amino-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 765946
US9676701, 104 4'−((trans)-2-aminocyclopropyl)-6-hydroxy-[1,1'-biphenyl]-3-carbonitrile hydrochloride
CID 56650598

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide (CID 106598661) is N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide?
The InChIKey is NDVVQCKQXDPQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-10(2)11(15)6-8-17(3)20(18,19)13-5-4-7-16-12(13)9-14/h4-5,7,10-11H,6,8,15H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide?
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 106598661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).