2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane

C9H17NS2 — CID 134716140

IUPAC2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane
SMILESCC1SC2(CCNCC2)SC1C
InChIInChI=1S/C9H17NS2/c1-7-8(2)12-9(11-7)3-5-10-6-4-9/h7-8,10H,3-6H2,1-2H3
InChIKeyBZJVAOSVZCTCKK-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.32
Rot. Bonds

About 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane

2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane (PubChem CID 134716140) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane
PubChem CID134716140
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane
SMILESCC1SC2(CCNCC2)SC1C
InChIInChI=1S/C9H17NS2/c1-7-8(2)12-9(11-7)3-5-10-6-4-9/h7-8,10H,3-6H2,1-2H3
InChIKeyBZJVAOSVZCTCKK-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane 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 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
The IUPAC name of 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane (CID 134716140) is 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane.
What is the SMILES notation for 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
The canonical SMILES for 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane is CC1SC2(CCNCC2)SC1C.
What is the InChIKey of 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
The InChIKey is BZJVAOSVZCTCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-7-8(2)12-9(11-7)3-5-10-6-4-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane has a molecular weight of 203.38 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dithia-8-azaspiro[4.5]decane is sourced from PubChem (CID 134716140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).