2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C8H14N2OS — CID 22097465

IUPAC2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1SC2(CCNCC2)NC1=O
InChIInChI=1S/C8H14N2OS/c1-6-7(11)10-8(12-6)2-4-9-5-3-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeySIOXXPYXLAJRSW-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.32
Rot. Bonds

About 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 22097465) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID22097465
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1SC2(CCNCC2)NC1=O
InChIInChI=1S/C8H14N2OS/c1-6-7(11)10-8(12-6)2-4-9-5-3-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeySIOXXPYXLAJRSW-UHFFFAOYSA-N
XLogP0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one 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-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 22097465) is 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC1SC2(CCNCC2)NC1=O.
What is the InChIKey of 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SIOXXPYXLAJRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-7(11)10-8(12-6)2-4-9-5-3-8/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 186.28 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 22097465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).