1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C16H22N4O3S2 — CID 3244395

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1
InChIInChI=1S/C16H22N4O3S2/c1-11-15(12(2)19-18-11)25(22,23)20-7-3-5-13(10-20)16(21)17-9-14-6-4-8-24-14/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyJDJCQYYVDLWETI-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.81
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 3244395) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID3244395
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1
InChIInChI=1S/C16H22N4O3S2/c1-11-15(12(2)19-18-11)25(22,23)20-7-3-5-13(10-20)16(21)17-9-14-6-4-8-24-14/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyJDJCQYYVDLWETI-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 3244395) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JDJCQYYVDLWETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-11-15(12(2)19-18-11)25(22,23)20-7-3-5-13(10-20)16(21)17-9-14-6-4-8-24-14/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3244395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).