5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid

C14H16N4O4S2 — CID 122047696

IUPAC5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(NS(=O)(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C14H16N4O4S2/c19-14(20)11-8-16-12(9-15-11)18-5-3-10(4-6-18)17-24(21,22)13-2-1-7-23-13/h1-2,7-10,17H,3-6H2,(H,19,20)
InChIKeyUZFMCVRVPWSAEU-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.18
Rot. Bonds5

About 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122047696) has the molecular formula C14H16N4O4S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122047696
Molecular FormulaC14H16N4O4S2
Molecular Weight368.44 g/mol
Exact Mass368.06
IUPAC Name5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(NS(=O)(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C14H16N4O4S2/c19-14(20)11-8-16-12(9-15-11)18-5-3-10(4-6-18)17-24(21,22)13-2-1-7-23-13/h1-2,7-10,17H,3-6H2,(H,19,20)
InChIKeyUZFMCVRVPWSAEU-UHFFFAOYSA-N
XLogP1.18
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]thiophene-2-sulfonamide
CID 51308992
N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 133489295
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid
CID 136550194
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33348830
N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide
CID 56554229
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749

Frequently Asked Questions

What is the IUPAC name of 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122047696) is 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(NS(=O)(=O)c3cccs3)CC2)cn1.
What is the InChIKey of 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is UZFMCVRVPWSAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S2/c19-14(20)11-8-16-12(9-15-11)18-5-3-10(4-6-18)17-24(21,22)13-2-1-7-23-13/h1-2,7-10,17H,3-6H2,(H,19,20).
What are the key properties of 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).