1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide

C12H18N2OS — CID 115635699

IUPAC1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCSCC2)CCC1
InChIInChI=1S/C12H18N2OS/c13-9-12(4-1-5-12)11(15)14-8-10-2-6-16-7-3-10/h10H,1-8H2,(H,14,15)
InChIKeyOQWLBJSYLJJFDH-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.94
Rot. Bonds3

About 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide

1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 115635699) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID115635699
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCSCC2)CCC1
InChIInChI=1S/C12H18N2OS/c13-9-12(4-1-5-12)11(15)14-8-10-2-6-16-7-3-10/h10H,1-8H2,(H,14,15)
InChIKeyOQWLBJSYLJJFDH-UHFFFAOYSA-N
XLogP1.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide 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

1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107413298
3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
CID 115184749
1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 103839419
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80592027
1-cyano-N-(3-cyclopropylpropyl)cyclopentane-1-carboxamide
CID 115635940
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide
CID 80709497
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide
CID 113487601

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide (CID 115635699) is 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NCC2CCSCC2)CCC1.
What is the InChIKey of 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is OQWLBJSYLJJFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-9-12(4-1-5-12)11(15)14-8-10-2-6-16-7-3-10/h10H,1-8H2,(H,14,15).
What are the key properties of 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide?
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115635699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).