1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine

C15H26N2O2S2 — CID 60540170

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(CCC(C)C)CC2)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-12(2)5-6-16-7-9-17(10-8-16)21(18,19)15-11-13(3)20-14(15)4/h11-12H,5-10H2,1-4H3
InChIKeyAGDCLNLUDJUECL-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.72
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine

1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine (PubChem CID 60540170) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
PubChem CID60540170
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(CCC(C)C)CC2)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-12(2)5-6-16-7-9-17(10-8-16)21(18,19)15-11-13(3)20-14(15)4/h11-12H,5-10H2,1-4H3
InChIKeyAGDCLNLUDJUECL-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine 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-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 63237331
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058
4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine
CID 61138449
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
CID 63874056
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855
2-chloro-5-[4-(3-methylbutyl)piperazin-1-yl]sulfonylpyrimidine
CID 61046840
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
3-[4-(3-methylbutyl)piperazin-1-yl]sulfonylaniline
CID 61141113
1-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-5-one
CID 60709201

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine (CID 60540170) is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(CCC(C)C)CC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine?
The InChIKey is AGDCLNLUDJUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-12(2)5-6-16-7-9-17(10-8-16)21(18,19)15-11-13(3)20-14(15)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine?
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine has a molecular weight of 330.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine is sourced from PubChem (CID 60540170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).