2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide

C11H18N2OS — CID 107296189

IUPAC2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(C)C(C#N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H18N2OS/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyMIPIESGBWSTHFA-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.65
Rot. Bonds4

About 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide

2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide (PubChem CID 107296189) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
PubChem CID107296189
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(C)C(C#N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H18N2OS/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyMIPIESGBWSTHFA-UHFFFAOYSA-N
XLogP1.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide 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-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 63243648
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 63706504
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296028
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
2-methyl-3-(thiolan-3-ylmethylcarbamoylamino)butanoic acid
CID 107297388
2-cyano-2-ethyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296193
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The IUPAC name of 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide (CID 107296189) is 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide is CC(C)C(C#N)C(=O)NCC1CCSC1.
What is the InChIKey of 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The InChIKey is MIPIESGBWSTHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide is sourced from PubChem (CID 107296189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).