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

C14H21ClN2O3S2 — CID 78773434

IUPAC1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2O3S2/c1-2-3-4-5-13(18)16-8-10-17(11-9-16)22(19,20)14-7-6-12(15)21-14/h6-7H,2-5,8-11H2,1H3
InChIKeyOXHQSUBLIUGZMI-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.81
Rot. Bonds6

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

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one (PubChem CID 78773434) has the molecular formula C14H21ClN2O3S2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
PubChem CID78773434
Molecular FormulaC14H21ClN2O3S2
Molecular Weight364.92 g/mol
Exact Mass364.07
IUPAC Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2O3S2/c1-2-3-4-5-13(18)16-8-10-17(11-9-16)22(19,20)14-7-6-12(15)21-14/h6-7H,2-5,8-11H2,1H3
InChIKeyOXHQSUBLIUGZMI-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 55437151
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
4-amino-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one
CID 120587011
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 2971243
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511
N-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 24680213
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986695
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 24680207
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one (CID 78773434) is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one is CCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one?
The InChIKey is OXHQSUBLIUGZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S2/c1-2-3-4-5-13(18)16-8-10-17(11-9-16)22(19,20)14-7-6-12(15)21-14/h6-7H,2-5,8-11H2,1H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one?
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one has a molecular weight of 364.92 g/mol, XLogP of 2.81, 6 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]hexan-1-one is sourced from PubChem (CID 78773434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).