2-(methylamino)-4-methylsulfanylbutanenitrile

C6H12N2S — CID 60812055

IUPAC2-(methylamino)-4-methylsulfanylbutanenitrile
SMILESCNC(C#N)CCSC
InChIInChI=1S/C6H12N2S/c1-8-6(5-7)3-4-9-2/h6,8H,3-4H2,1-2H3
InChIKeyCWXQYKQKPVTFDM-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.85
Rot. Bonds4

About 2-(methylamino)-4-methylsulfanylbutanenitrile

2-(methylamino)-4-methylsulfanylbutanenitrile (PubChem CID 60812055) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(methylamino)-4-methylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-methylsulfanylbutanenitrile
PubChem CID60812055
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-(methylamino)-4-methylsulfanylbutanenitrile
SMILESCNC(C#N)CCSC
InChIInChI=1S/C6H12N2S/c1-8-6(5-7)3-4-9-2/h6,8H,3-4H2,1-2H3
InChIKeyCWXQYKQKPVTFDM-UHFFFAOYSA-N
XLogP0.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-methylsulfanylbutanenitrile?
The IUPAC name of 2-(methylamino)-4-methylsulfanylbutanenitrile (CID 60812055) is 2-(methylamino)-4-methylsulfanylbutanenitrile.
What is the SMILES notation for 2-(methylamino)-4-methylsulfanylbutanenitrile?
The canonical SMILES for 2-(methylamino)-4-methylsulfanylbutanenitrile is CNC(C#N)CCSC.
What is the InChIKey of 2-(methylamino)-4-methylsulfanylbutanenitrile?
The InChIKey is CWXQYKQKPVTFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-8-6(5-7)3-4-9-2/h6,8H,3-4H2,1-2H3.
What are the key properties of 2-(methylamino)-4-methylsulfanylbutanenitrile?
2-(methylamino)-4-methylsulfanylbutanenitrile has a molecular weight of 144.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-methylsulfanylbutanenitrile is sourced from PubChem (CID 60812055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).