2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile

C10H17N3S2 — CID 150789821

IUPAC2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile
SMILESCSCCC(C#N)(CCSC)NCC#N
InChIInChI=1S/C10H17N3S2/c1-14-7-3-10(9-12,4-8-15-2)13-6-5-11/h13H,3-4,6-8H2,1-2H3
InChIKeyKDPSOOAJRQFMCJ-UHFFFAOYSA-N
MW243.40 g/mol
LogP1.87
Rot. Bonds8

About 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile

2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile (PubChem CID 150789821) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile.

Molecular Properties

Compound Name2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile
PubChem CID150789821
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile
SMILESCSCCC(C#N)(CCSC)NCC#N
InChIInChI=1S/C10H17N3S2/c1-14-7-3-10(9-12,4-8-15-2)13-6-5-11/h13H,3-4,6-8H2,1-2H3
InChIKeyKDPSOOAJRQFMCJ-UHFFFAOYSA-N
XLogP1.87
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile?
The IUPAC name of 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile (CID 150789821) is 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile.
What is the SMILES notation for 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile?
The canonical SMILES for 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile is CSCCC(C#N)(CCSC)NCC#N.
What is the InChIKey of 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile?
The InChIKey is KDPSOOAJRQFMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-14-7-3-10(9-12,4-8-15-2)13-6-5-11/h13H,3-4,6-8H2,1-2H3.
What are the key properties of 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile?
2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile has a molecular weight of 243.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylamino)-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanenitrile is sourced from PubChem (CID 150789821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).