3-methyl-1-(thian-4-yl)piperazin-2-one

C10H18N2OS — CID 115101891

IUPAC3-methyl-1-(thian-4-yl)piperazin-2-one
SMILESCC1NCCN(C2CCSCC2)C1=O
InChIInChI=1S/C10H18N2OS/c1-8-10(13)12(5-4-11-8)9-2-6-14-7-3-9/h8-9,11H,2-7H2,1H3
InChIKeyHFEBBUFKQPMFHH-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.70
Rot. Bonds1

About 3-methyl-1-(thian-4-yl)piperazin-2-one

3-methyl-1-(thian-4-yl)piperazin-2-one (PubChem CID 115101891) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methyl-1-(thian-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(thian-4-yl)piperazin-2-one
PubChem CID115101891
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methyl-1-(thian-4-yl)piperazin-2-one
SMILESCC1NCCN(C2CCSCC2)C1=O
InChIInChI=1S/C10H18N2OS/c1-8-10(13)12(5-4-11-8)9-2-6-14-7-3-9/h8-9,11H,2-7H2,1H3
InChIKeyHFEBBUFKQPMFHH-UHFFFAOYSA-N
XLogP0.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.70
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-(thiolan-3-yl)-1,4-diazepan-2-one
CID 115101990
3-methyl-1-(thiolan-2-yl)piperazin-2-one
CID 115101918
1-(1,1-dioxothian-3-yl)-3-methylpiperazin-2-one
CID 115101910
3-methyl-1-(oxolan-2-yl)piperazin-2-one
CID 115101916
1-(1,1-dioxothiolan-2-yl)-3-methylpiperazin-2-one
CID 115101917
1-(1,1-dioxothian-2-yl)-3-methylpiperazin-2-one
CID 115101924
5-methyl-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
CID 83244069
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
3-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864
1-cyclohexyl-3-methoxypiperazin-2-one
CID 67085179
1-cyclopropyl-3-propylpiperazin-2-one;hydrochloride
CID 178039899

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thian-4-yl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(thian-4-yl)piperazin-2-one (CID 115101891) is 3-methyl-1-(thian-4-yl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(thian-4-yl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(thian-4-yl)piperazin-2-one is CC1NCCN(C2CCSCC2)C1=O.
What is the InChIKey of 3-methyl-1-(thian-4-yl)piperazin-2-one?
The InChIKey is HFEBBUFKQPMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-10(13)12(5-4-11-8)9-2-6-14-7-3-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(thian-4-yl)piperazin-2-one?
3-methyl-1-(thian-4-yl)piperazin-2-one has a molecular weight of 214.33 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thian-4-yl)piperazin-2-one is sourced from PubChem (CID 115101891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).