2-propan-2-ylidene-1,3-thiazinane

C7H13NS — CID 58627885

IUPAC2-propan-2-ylidene-1,3-thiazinane
SMILESCC(C)=C1NCCCS1
InChIInChI=1S/C7H13NS/c1-6(2)7-8-4-3-5-9-7/h8H,3-5H2,1-2H3
InChIKeySUZFATQTHZYRRJ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.96
Rot. Bonds

About 2-propan-2-ylidene-1,3-thiazinane

2-propan-2-ylidene-1,3-thiazinane (PubChem CID 58627885) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-propan-2-ylidene-1,3-thiazinane.

Molecular Properties

Compound Name2-propan-2-ylidene-1,3-thiazinane
PubChem CID58627885
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-propan-2-ylidene-1,3-thiazinane
SMILESCC(C)=C1NCCCS1
InChIInChI=1S/C7H13NS/c1-6(2)7-8-4-3-5-9-7/h8H,3-5H2,1-2H3
InChIKeySUZFATQTHZYRRJ-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-ylidene-1,3-thiazinane 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-propan-2-ylidene-1,3-thiazinane?
The IUPAC name of 2-propan-2-ylidene-1,3-thiazinane (CID 58627885) is 2-propan-2-ylidene-1,3-thiazinane.
What is the SMILES notation for 2-propan-2-ylidene-1,3-thiazinane?
The canonical SMILES for 2-propan-2-ylidene-1,3-thiazinane is CC(C)=C1NCCCS1.
What is the InChIKey of 2-propan-2-ylidene-1,3-thiazinane?
The InChIKey is SUZFATQTHZYRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)7-8-4-3-5-9-7/h8H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylidene-1,3-thiazinane?
2-propan-2-ylidene-1,3-thiazinane has a molecular weight of 143.25 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-1,3-thiazinane is sourced from PubChem (CID 58627885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).