3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide

C16H22N4O3S2 — CID 108565651

IUPAC3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-11-16(12(2)18-17-11)25(22,23)19-13-5-7-20(8-6-13)15(21)10-14-4-3-9-24-14/h3-4,9,13,19H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyVFFLYURMNXFVNQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.60
Rot. Bonds5

About 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 108565651) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
PubChem CID108565651
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-11-16(12(2)18-17-11)25(22,23)19-13-5-7-20(8-6-13)15(21)10-14-4-3-9-24-14/h3-4,9,13,19H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyVFFLYURMNXFVNQ-UHFFFAOYSA-N
XLogP1.60
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 108565545
3,5-dimethyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108565223
3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108566855
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33349321
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031148

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide (CID 108565651) is 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VFFLYURMNXFVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-11-16(12(2)18-17-11)25(22,23)19-13-5-7-20(8-6-13)15(21)10-14-4-3-9-24-14/h3-4,9,13,19H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 382.51 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 108565651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).