(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid

C9H12N2O4S2 — CID 95862723

IUPAC(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CNCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C9H12N2O4S2/c12-9(13)7-6-10-3-4-11(7)17(14,15)8-2-1-5-16-8/h1-2,5,7,10H,3-4,6H2,(H,12,13)/t7-/m0/s1
InChIKeyIHPZAUVBRCMZRQ-ZETCQYMHSA-N
MW276.34 g/mol
LogP-0.20
Rot. Bonds3

About (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid

(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid (PubChem CID 95862723) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
PubChem CID95862723
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CNCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C9H12N2O4S2/c12-9(13)7-6-10-3-4-11(7)17(14,15)8-2-1-5-16-8/h1-2,5,7,10H,3-4,6H2,(H,12,13)/t7-/m0/s1
InChIKeyIHPZAUVBRCMZRQ-ZETCQYMHSA-N
XLogP-0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid 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

(2R)-2-methyl-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 120717017
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 97169349
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119555303
N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
CID 77041831
1-(2-phenylpropylsulfonyl)piperazine-2-carboxylic acid
CID 80691983
1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 71638752
(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine-2-carboxylic acid
CID 97166524

Frequently Asked Questions

What is the IUPAC name of (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
The IUPAC name of (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid (CID 95862723) is (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid is O=C(O)[C@@H]1CNCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
The InChIKey is IHPZAUVBRCMZRQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c12-9(13)7-6-10-3-4-11(7)17(14,15)8-2-1-5-16-8/h1-2,5,7,10H,3-4,6H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 95862723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).