(2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide

C10H14N3O2S+ — CID 7165044

IUPAC(2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)c2cccs2)CC[NH2+]1
InChIInChI=1S/C10H13N3O2S/c11-9(14)7-6-13(4-3-12-7)10(15)8-2-1-5-16-8/h1-2,5,7,12H,3-4,6H2,(H2,11,14)/p+1/t7-/m0/s1
InChIKeyLDRDDPLOHBTPOE-ZETCQYMHSA-O
MW240.31 g/mol
LogP-1.38
Rot. Bonds2

About (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide

(2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide (PubChem CID 7165044) has the molecular formula C10H14N3O2S+ and a molecular weight of 240.31 g/mol. Its IUPAC name is (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide
PubChem CID7165044
Molecular FormulaC10H14N3O2S+
Molecular Weight240.31 g/mol
Exact Mass240.08
IUPAC Name(2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)c2cccs2)CC[NH2+]1
InChIInChI=1S/C10H13N3O2S/c11-9(14)7-6-13(4-3-12-7)10(15)8-2-1-5-16-8/h1-2,5,7,12H,3-4,6H2,(H2,11,14)/p+1/t7-/m0/s1
InChIKeyLDRDDPLOHBTPOE-ZETCQYMHSA-O
XLogP-1.38
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
[4-(diaminomethylidene)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 8007596
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide?
The IUPAC name of (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide (CID 7165044) is (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide.
What is the SMILES notation for (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide?
The canonical SMILES for (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide is NC(=O)[C@@H]1CN(C(=O)c2cccs2)CC[NH2+]1.
What is the InChIKey of (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide?
The InChIKey is LDRDDPLOHBTPOE-ZETCQYMHSA-O. The full InChI is InChI=1S/C10H13N3O2S/c11-9(14)7-6-13(4-3-12-7)10(15)8-2-1-5-16-8/h1-2,5,7,12H,3-4,6H2,(H2,11,14)/p+1/t7-/m0/s1.
What are the key properties of (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide?
(2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxamide is sourced from PubChem (CID 7165044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).