1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine

C17H24N4O2S2 — CID 20947496

IUPAC1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)s2)n[nH]1
InChIInChI=1S/C17H24N4O2S2/c1-13-12-15(19-18-13)16-6-7-17(24-16)25(22,23)21-10-8-20(9-11-21)14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyRUZUSLZUGNJGMI-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.70
Rot. Bonds4

About 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine

1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine (PubChem CID 20947496) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
PubChem CID20947496
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)s2)n[nH]1
InChIInChI=1S/C17H24N4O2S2/c1-13-12-15(19-18-13)16-6-7-17(24-16)25(22,23)21-10-8-20(9-11-21)14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyRUZUSLZUGNJGMI-UHFFFAOYSA-N
XLogP2.70
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The IUPAC name of 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine (CID 20947496) is 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine.
What is the SMILES notation for 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The canonical SMILES for 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine is Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)s2)n[nH]1.
What is the InChIKey of 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The InChIKey is RUZUSLZUGNJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-13-12-15(19-18-13)16-6-7-17(24-16)25(22,23)21-10-8-20(9-11-21)14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,18,19).
What are the key properties of 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine has a molecular weight of 380.54 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine is sourced from PubChem (CID 20947496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).