3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one

C14H14N2O3S2 — CID 110419953

IUPAC3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C14H14N2O3S2/c17-14-13(11-5-2-1-3-6-11)16(9-8-15-14)21(18,19)12-7-4-10-20-12/h1-7,10,13H,8-9H2,(H,15,17)
InChIKeyHTLQQTYCYUBAIZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.61
Rot. Bonds3

About 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one

3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one (PubChem CID 110419953) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
PubChem CID110419953
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C14H14N2O3S2/c17-14-13(11-5-2-1-3-6-11)16(9-8-15-14)21(18,19)12-7-4-10-20-12/h1-7,10,13H,8-9H2,(H,15,17)
InChIKeyHTLQQTYCYUBAIZ-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-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-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
1-phenyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16803433
3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one
CID 110644793
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656
4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
CID 110419970
3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
CID 110419968
6-(3-oxo-2-phenylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110644647
(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 95862723
4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one
CID 146105104
(2R)-2-methyl-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 120717017
3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one?
The IUPAC name of 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one (CID 110419953) is 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one?
The canonical SMILES for 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one is O=C1NCCN(S(=O)(=O)c2cccs2)C1c1ccccc1.
What is the InChIKey of 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one?
The InChIKey is HTLQQTYCYUBAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-14-13(11-5-2-1-3-6-11)16(9-8-15-14)21(18,19)12-7-4-10-20-12/h1-7,10,13H,8-9H2,(H,15,17).
What are the key properties of 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one?
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one has a molecular weight of 322.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 110419953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).