2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H21N3S — CID 115669194

IUPAC2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSCCC(C)N(C)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H21N3S/c1-11(7-8-19-3)18(2)15-13(10-16)9-12-5-4-6-14(12)17-15/h9,11H,4-8H2,1-3H3
InChIKeyHFJPJJKPSVCEPM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.02
Rot. Bonds5

About 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 115669194) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID115669194
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSCCC(C)N(C)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H21N3S/c1-11(7-8-19-3)18(2)15-13(10-16)9-12-5-4-6-14(12)17-15/h9,11H,4-8H2,1-3H3
InChIKeyHFJPJJKPSVCEPM-UHFFFAOYSA-N
XLogP3.02
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63224853
2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63511622
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78964766
2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944687
2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 107398660
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63656342
2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980616
2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79113654
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)-(2-methylpropyl)amino]acetic acid
CID 63065717
4-bromo-2-[methyl(4-methylsulfanylbutan-2-yl)amino]benzonitrile
CID 114902255
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79313692

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 115669194) is 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CSCCC(C)N(C)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is HFJPJJKPSVCEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(7-8-19-3)18(2)15-13(10-16)9-12-5-4-6-14(12)17-15/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 275.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 115669194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).