(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C10H12N2O2S — CID 25283897

IUPAC(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)c1cccs1
InChIInChI=1S/C10H12N2O2S/c1-7-9(13)11-4-5-12(7)10(14)8-3-2-6-15-8/h2-3,6-7H,4-5H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyBFJSNMWBQIZNMI-ZETCQYMHSA-N
MW224.28 g/mol
LogP0.71
Rot. Bonds1

About (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 25283897) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID25283897
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)c1cccs1
InChIInChI=1S/C10H12N2O2S/c1-7-9(13)11-4-5-12(7)10(14)8-3-2-6-15-8/h2-3,6-7H,4-5H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyBFJSNMWBQIZNMI-ZETCQYMHSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 63090398

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 25283897) is (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is C[C@H]1C(=O)NCCN1C(=O)c1cccs1.
What is the InChIKey of (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is BFJSNMWBQIZNMI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7-9(13)11-4-5-12(7)10(14)8-3-2-6-15-8/h2-3,6-7H,4-5H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 224.28 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 25283897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).