1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one

C12H21NOS — CID 18738816

IUPAC1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one
SMILESCCC(=O)C1CSC2(CCCCC2)N1C
InChIInChI=1S/C12H21NOS/c1-3-11(14)10-9-15-12(13(10)2)7-5-4-6-8-12/h10H,3-9H2,1-2H3
InChIKeyVSGGASKOWNKUQP-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.67
Rot. Bonds2

About 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one

1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one (PubChem CID 18738816) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one
PubChem CID18738816
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one
SMILESCCC(=O)C1CSC2(CCCCC2)N1C
InChIInChI=1S/C12H21NOS/c1-3-11(14)10-9-15-12(13(10)2)7-5-4-6-8-12/h10H,3-9H2,1-2H3
InChIKeyVSGGASKOWNKUQP-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-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

1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone
CID 18738813
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
1-spiro[4.5]decan-8-ylpropan-1-one
CID 114820945
3-propanoylspiro[4.5]decan-4-one
CID 131115323
4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203177
(3R)-8-methyl-4-[(2R)-2-methyl-3-sulfanylpropanoyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 88676857
1-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]propan-1-one
CID 89043897
1-(1-aminopiperidin-2-yl)propan-1-one
CID 57118405
1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one
CID 70863446
N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919135
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one?
The IUPAC name of 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one (CID 18738816) is 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one?
The canonical SMILES for 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one is CCC(=O)C1CSC2(CCCCC2)N1C.
What is the InChIKey of 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one?
The InChIKey is VSGGASKOWNKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-11(14)10-9-15-12(13(10)2)7-5-4-6-8-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one?
1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one has a molecular weight of 227.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one is sourced from PubChem (CID 18738816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).