1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone

C15H21ClN2O3S2 — CID 7972513

IUPAC1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H21ClN2O3S2/c16-13-5-6-15(22-13)23(20,21)18-9-7-17(8-10-18)14(19)11-12-3-1-2-4-12/h5-6,12H,1-4,7-11H2
InChIKeyJNDMIXYLZVLHDI-UHFFFAOYSA-N
MW376.93 g/mol
LogP2.81
Rot. Bonds4

About 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone (PubChem CID 7972513) has the molecular formula C15H21ClN2O3S2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
PubChem CID7972513
Molecular FormulaC15H21ClN2O3S2
Molecular Weight376.93 g/mol
Exact Mass376.07
IUPAC Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H21ClN2O3S2/c16-13-5-6-15(22-13)23(20,21)18-9-7-17(8-10-18)14(19)11-12-3-1-2-4-12/h5-6,12H,1-4,7-11H2
InChIKeyJNDMIXYLZVLHDI-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
4-(2-cyclohexylacetyl)-N-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 46379787
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
2-cyclohexyl-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 38168445
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986695
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone (CID 7972513) is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is JNDMIXYLZVLHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S2/c16-13-5-6-15(22-13)23(20,21)18-9-7-17(8-10-18)14(19)11-12-3-1-2-4-12/h5-6,12H,1-4,7-11H2.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone?
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 376.93 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 7972513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).