1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine

C12H20N2O4S3 — CID 6464966

IUPAC1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H20N2O4S3/c1-2-3-11-20(15,16)13-6-8-14(9-7-13)21(17,18)12-5-4-10-19-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyOPOGRBLXYVOESB-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.18
Rot. Bonds6

About 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6464966) has the molecular formula C12H20N2O4S3 and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6464966
Molecular FormulaC12H20N2O4S3
Molecular Weight352.50 g/mol
Exact Mass352.06
IUPAC Name1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H20N2O4S3/c1-2-3-11-20(15,16)13-6-8-14(9-7-13)21(17,18)12-5-4-10-19-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyOPOGRBLXYVOESB-UHFFFAOYSA-N
XLogP1.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine
CID 17264581
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110819058
3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
CID 121058587
N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 7944078
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 6464966) is 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine is CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is OPOGRBLXYVOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S3/c1-2-3-11-20(15,16)13-6-8-14(9-7-13)21(17,18)12-5-4-10-19-12/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 352.50 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6464966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).