1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine

C16H23ClN2O2S2 — CID 113073206

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C16H23ClN2O2S2/c17-15-6-7-16(22-15)23(20,21)19-12-10-18(11-13-19)9-8-14-4-2-1-3-5-14/h4,6-7H,1-3,5,8-13H2
InChIKeyMUSKBAUDKBIUHX-UHFFFAOYSA-N
MW374.96 g/mol
LogP3.60
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine (PubChem CID 113073206) has the molecular formula C16H23ClN2O2S2 and a molecular weight of 374.96 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
PubChem CID113073206
Molecular FormulaC16H23ClN2O2S2
Molecular Weight374.96 g/mol
Exact Mass374.09
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C16H23ClN2O2S2/c17-15-6-7-16(22-15)23(20,21)19-12-10-18(11-13-19)9-8-14-4-2-1-3-5-14/h4,6-7H,1-3,5,8-13H2
InChIKeyMUSKBAUDKBIUHX-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
CID 113073175
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 113073220
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 95088891
4-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]butanoic acid
CID 119135118
4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
CID 60575695
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 45029631
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113073201
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
CID 46562847
3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901895

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine (CID 113073206) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine?
The InChIKey is MUSKBAUDKBIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S2/c17-15-6-7-16(22-15)23(20,21)19-12-10-18(11-13-19)9-8-14-4-2-1-3-5-14/h4,6-7H,1-3,5,8-13H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine has a molecular weight of 374.96 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine is sourced from PubChem (CID 113073206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).