N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide

C10H18N2OS — CID 107026270

IUPACN-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C#N)CN(C)C(=O)C(S)C(C)C
InChIInChI=1S/C10H18N2OS/c1-7(2)9(14)10(13)12(4)6-8(3)5-11/h7-9,14H,6H2,1-4H3
InChIKeyKFOUYNCHRSKFHF-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.56
Rot. Bonds4

About N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide

N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide (PubChem CID 107026270) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
PubChem CID107026270
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C#N)CN(C)C(=O)C(S)C(C)C
InChIInChI=1S/C10H18N2OS/c1-7(2)9(14)10(13)12(4)6-8(3)5-11/h7-9,14H,6H2,1-4H3
InChIKeyKFOUYNCHRSKFHF-UHFFFAOYSA-N
XLogP1.56
TPSA44.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide 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 N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide?
The IUPAC name of N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide (CID 107026270) is N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide?
The canonical SMILES for N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide is CC(C#N)CN(C)C(=O)C(S)C(C)C.
What is the InChIKey of N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide?
The InChIKey is KFOUYNCHRSKFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)9(14)10(13)12(4)6-8(3)5-11/h7-9,14H,6H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide?
N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide has a molecular weight of 214.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide is sourced from PubChem (CID 107026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).