2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile

C11H15N3S — CID 115899405

IUPAC2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile
SMILESCCC(CSC)Nc1ncccc1C#N
InChIInChI=1S/C11H15N3S/c1-3-10(8-15-2)14-11-9(7-12)5-4-6-13-11/h4-6,10H,3,8H2,1-2H3,(H,13,14)
InChIKeyIUKUVPZQZANSMD-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.51
Rot. Bonds5

About 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile

2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 115899405) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile
PubChem CID115899405
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile
SMILESCCC(CSC)Nc1ncccc1C#N
InChIInChI=1S/C11H15N3S/c1-3-10(8-15-2)14-11-9(7-12)5-4-6-13-11/h4-6,10H,3,8H2,1-2H3,(H,13,14)
InChIKeyIUKUVPZQZANSMD-UHFFFAOYSA-N
XLogP2.51
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylsulfanylbutan-2-ylamino)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-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
3-(hexan-3-ylamino)pyridazine-4-carbonitrile
CID 80509692
2-chloro-4-(1-methylsulfanylbutan-2-ylamino)benzonitrile
CID 115899401
2-(4-butan-2-ylanilino)pyridine-3-carbonitrile
CID 11842297
2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 47394904
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 95759520
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile (CID 115899405) is 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile is CCC(CSC)Nc1ncccc1C#N.
What is the InChIKey of 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is IUKUVPZQZANSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-10(8-15-2)14-11-9(7-12)5-4-6-13-11/h4-6,10H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile?
2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 115899405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).