N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide

C13H18N4O2S2 — CID 131904796

IUPACN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2cccs2)C1)c1cn[nH]c1
InChIInChI=1S/C13H18N4O2S2/c18-21(19,13-7-14-15-8-13)16-11-3-1-5-17(9-11)10-12-4-2-6-20-12/h2,4,6-8,11,16H,1,3,5,9-10H2,(H,14,15)
InChIKeyHQRWMEIYSGIOQD-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.41
Rot. Bonds5

About N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 131904796) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
PubChem CID131904796
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2cccs2)C1)c1cn[nH]c1
InChIInChI=1S/C13H18N4O2S2/c18-21(19,13-7-14-15-8-13)16-11-3-1-5-17(9-11)10-12-4-2-6-20-12/h2,4,6-8,11,16H,1,3,5,9-10H2,(H,14,15)
InChIKeyHQRWMEIYSGIOQD-UHFFFAOYSA-N
XLogP1.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine-3-sulfonamide
CID 131922128
4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide
CID 131935000
4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
CID 131920401
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 61275954
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 60929020
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidine
CID 125007759
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
(E)-3-[5-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]pyrazin-2-yl]prop-2-enoic acid
CID 69340376
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]benzenesulfonamide
CID 75375180
3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63044386

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide (CID 131904796) is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NC1CCCN(Cc2cccs2)C1)c1cn[nH]c1.
What is the InChIKey of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is HQRWMEIYSGIOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c18-21(19,13-7-14-15-8-13)16-11-3-1-5-17(9-11)10-12-4-2-6-20-12/h2,4,6-8,11,16H,1,3,5,9-10H2,(H,14,15).
What are the key properties of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide?
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131904796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).