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

C13H22N2O2S — CID 18738820

IUPAC4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCC(=O)CC1SC2(CCNCC2)N(C)C1=O
InChIInChI=1S/C13H22N2O2S/c1-3-4-10(16)9-11-12(17)15(2)13(18-11)5-7-14-8-6-13/h11,14H,3-9H2,1-2H3
InChIKeyVLLPXZXVJHEQDV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.40
Rot. Bonds4

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

4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 18738820) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID18738820
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCC(=O)CC1SC2(CCNCC2)N(C)C1=O
InChIInChI=1S/C13H22N2O2S/c1-3-4-10(16)9-11-12(17)15(2)13(18-11)5-7-14-8-6-13/h11,14H,3-9H2,1-2H3
InChIKeyVLLPXZXVJHEQDV-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(2-oxopentyl)-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

Related Compounds

4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 18738818
2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097515
(2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 142826216
(4-hydroxypiperidin-4-yl) butanoate
CID 174641441
1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone
CID 169318473
3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098609
4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63607923
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069925
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070227
1-piperidin-4-ylhexan-2-one
CID 116559845
2-butyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 18738820) is 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCCC(=O)CC1SC2(CCNCC2)N(C)C1=O.
What is the InChIKey of 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is VLLPXZXVJHEQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-4-10(16)9-11-12(17)15(2)13(18-11)5-7-14-8-6-13/h11,14H,3-9H2,1-2H3.
What are the key properties of 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 270.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 18738820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).