1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile

C10H14N2O2S — CID 78995200

IUPAC1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H14N2O2S/c11-8-10(2-1-3-10)9(13)12-4-6-15(14)7-5-12/h1-7H2
InChIKeyDNSBMTFWIGPEIB-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.27
Rot. Bonds1

About 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile

1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 78995200) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile
PubChem CID78995200
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H14N2O2S/c11-8-10(2-1-3-10)9(13)12-4-6-15(14)7-5-12/h1-7H2
InChIKeyDNSBMTFWIGPEIB-UHFFFAOYSA-N
XLogP0.27
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile 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 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile (CID 78995200) is 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCS(=O)CC2)CCC1.
What is the InChIKey of 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is DNSBMTFWIGPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-8-10(2-1-3-10)9(13)12-4-6-15(14)7-5-12/h1-7H2.
What are the key properties of 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile?
1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 226.30 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 78995200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).