(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid

C9H12N2O4S2 — CID 97169349

IUPAC(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C9H12N2O4S2/c12-9(13)7-6-11(4-3-10-7)17(14,15)8-2-1-5-16-8/h1-2,5,7,10H,3-4,6H2,(H,12,13)/t7-/m1/s1
InChIKeyGICZDSIURUBIIM-SSDOTTSWSA-N
MW276.34 g/mol
LogP-0.20
Rot. Bonds3

About (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid

(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid (PubChem CID 97169349) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
PubChem CID97169349
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C9H12N2O4S2/c12-9(13)7-6-11(4-3-10-7)17(14,15)8-2-1-5-16-8/h1-2,5,7,10H,3-4,6H2,(H,12,13)/t7-/m1/s1
InChIKeyGICZDSIURUBIIM-SSDOTTSWSA-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

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Related Compounds

(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine
CID 70655680
(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 95862723
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 70655430
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
CID 116681724
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine
CID 66583202

Frequently Asked Questions

What is the IUPAC name of (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid (CID 97169349) is (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid is O=C(O)[C@H]1CN(S(=O)(=O)c2cccs2)CCN1.
What is the InChIKey of (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
The InChIKey is GICZDSIURUBIIM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c12-9(13)7-6-11(4-3-10-7)17(14,15)8-2-1-5-16-8/h1-2,5,7,10H,3-4,6H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid?
(2R)-4-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 (2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 97169349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).