3-methyl-1-(thiolan-2-yl)piperazin-2-one

C9H16N2OS — CID 115101918

IUPAC3-methyl-1-(thiolan-2-yl)piperazin-2-one
SMILESCC1NCCN(C2CCCS2)C1=O
InChIInChI=1S/C9H16N2OS/c1-7-9(12)11(5-4-10-7)8-3-2-6-13-8/h7-8,10H,2-6H2,1H3
InChIKeyWHXUTEKAXFFPBM-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.66
Rot. Bonds1

About 3-methyl-1-(thiolan-2-yl)piperazin-2-one

3-methyl-1-(thiolan-2-yl)piperazin-2-one (PubChem CID 115101918) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methyl-1-(thiolan-2-yl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(thiolan-2-yl)piperazin-2-one
PubChem CID115101918
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-methyl-1-(thiolan-2-yl)piperazin-2-one
SMILESCC1NCCN(C2CCCS2)C1=O
InChIInChI=1S/C9H16N2OS/c1-7-9(12)11(5-4-10-7)8-3-2-6-13-8/h7-8,10H,2-6H2,1H3
InChIKeyWHXUTEKAXFFPBM-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-methylpiperazin-2-one
CID 115101959
3-methyl-1-(thian-4-yl)piperazin-2-one
CID 115101891
6,6-dimethyl-4-(thiolan-2-yl)-1,4-diazepan-5-one
CID 115100533
3-methyl-1-(oxolan-2-yl)piperazin-2-one
CID 115101916
3-methyl-1-(thiolan-3-yl)-1,4-diazepan-2-one
CID 115101990
1-(1,1-dioxothiolan-2-yl)-3-methylpiperazin-2-one
CID 115101917
1-(1,1-dioxothian-2-yl)-3-methylpiperazin-2-one
CID 115101924
1-(thiolan-2-yl)-1,4-diazepan-2-one
CID 115101837
1-(1,1-dioxothian-3-yl)-3-methylpiperazin-2-one
CID 115101910
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
1,3-dimethyl-1,4-diazepan-2-one;ethane
CID 143004866
3-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiolan-2-yl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(thiolan-2-yl)piperazin-2-one (CID 115101918) is 3-methyl-1-(thiolan-2-yl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(thiolan-2-yl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(thiolan-2-yl)piperazin-2-one is CC1NCCN(C2CCCS2)C1=O.
What is the InChIKey of 3-methyl-1-(thiolan-2-yl)piperazin-2-one?
The InChIKey is WHXUTEKAXFFPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7-9(12)11(5-4-10-7)8-3-2-6-13-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-methyl-1-(thiolan-2-yl)piperazin-2-one?
3-methyl-1-(thiolan-2-yl)piperazin-2-one has a molecular weight of 200.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiolan-2-yl)piperazin-2-one is sourced from PubChem (CID 115101918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).