1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine

C11H17ClN2O2S2 — CID 22772806

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2O2S2/c1-2-5-13-6-8-14(9-7-13)18(15,16)11-4-3-10(12)17-11/h3-4H,2,5-9H2,1H3
InChIKeyHPJGCDKTSYXSST-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.12
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine (PubChem CID 22772806) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine
PubChem CID22772806
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2O2S2/c1-2-5-13-6-8-14(9-7-13)18(15,16)11-4-3-10(12)17-11/h3-4H,2,5-9H2,1H3
InChIKeyHPJGCDKTSYXSST-UHFFFAOYSA-N
XLogP2.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine (CID 22772806) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
The InChIKey is HPJGCDKTSYXSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-2-5-13-6-8-14(9-7-13)18(15,16)11-4-3-10(12)17-11/h3-4H,2,5-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-propylpiperazine has a molecular weight of 308.86 g/mol, XLogP of 2.12, 4 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-propylpiperazine is sourced from PubChem (CID 22772806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).