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

C10H15ClN2O4S3 — CID 6465014

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2O4S3/c1-2-19(14,15)12-5-7-13(8-6-12)20(16,17)10-4-3-9(11)18-10/h3-4H,2,5-8H2,1H3
InChIKeySPYNCGCZEHEOFY-UHFFFAOYSA-N
MW358.89 g/mol
LogP1.06
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine (PubChem CID 6465014) has the molecular formula C10H15ClN2O4S3 and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
PubChem CID6465014
Molecular FormulaC10H15ClN2O4S3
Molecular Weight358.89 g/mol
Exact Mass357.99
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2O4S3/c1-2-19(14,15)12-5-7-13(8-6-12)20(16,17)10-4-3-9(11)18-10/h3-4H,2,5-8H2,1H3
InChIKeySPYNCGCZEHEOFY-UHFFFAOYSA-N
XLogP1.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 778335
CID 778335
CID 1541659
CID 1541659
CID 3863656
CID 3863656
CID 1236547
CID 1236547
CID 16302058
CID 16302058
CID 2870299
CID 2870299
CID 53444390
CID 53444390
CID 2566008
CID 2566008
CID 6464966
CID 6464966
CID 6464993
CID 6464993
CID 9304441
CID 9304441
CID 2820980
CID 2820980

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine (CID 6465014) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
The InChIKey is SPYNCGCZEHEOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S3/c1-2-19(14,15)12-5-7-13(8-6-12)20(16,17)10-4-3-9(11)18-10/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine has a molecular weight of 358.89 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 6465014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).