1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine

C12H16N4O2S2 — CID 60929020

IUPAC1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H16N4O2S2/c17-20(18,12-8-13-14-9-12)16-5-3-15(4-6-16)10-11-2-1-7-19-11/h1-2,7-9H,3-6,10H2,(H,13,14)
InChIKeyJIFCBNYSAXKHPJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP0.98
Rot. Bonds4

About 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine

1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 60929020) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID60929020
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H16N4O2S2/c17-20(18,12-8-13-14-9-12)16-5-3-15(4-6-16)10-11-2-1-7-19-11/h1-2,7-9H,3-6,10H2,(H,13,14)
InChIKeyJIFCBNYSAXKHPJ-UHFFFAOYSA-N
XLogP0.98
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-3-ylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 131936945
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 17422638
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 131904796
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 30172844
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 17060357
1-naphthalen-2-ylsulfonyl-4-(thiophen-2-ylmethyl)piperazine;oxalic acid
CID 90481345
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 30172890
3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
CID 30598898
N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60929148

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine (CID 60929020) is 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine is O=S(=O)(c1cn[nH]c1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is JIFCBNYSAXKHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c17-20(18,12-8-13-14-9-12)16-5-3-15(4-6-16)10-11-2-1-7-19-11/h1-2,7-9H,3-6,10H2,(H,13,14).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 312.42 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 60929020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).