4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline

C14H17N3O2S2 — CID 9161620

IUPAC4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
SMILESNc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C14H17N3O2S2/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)21(18,19)14-2-1-11-20-14/h1-6,11H,7-10,15H2
InChIKeyJKJRUGOMCAGNQY-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.84
Rot. Bonds3

About 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline

4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline (PubChem CID 9161620) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
PubChem CID9161620
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
SMILESNc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C14H17N3O2S2/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)21(18,19)14-2-1-11-20-14/h1-6,11H,7-10,15H2
InChIKeyJKJRUGOMCAGNQY-UHFFFAOYSA-N
XLogP1.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline 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

N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 113078798
(2S)-2-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenyl]propane-1,2-diol
CID 70659611
1-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylsulfonylpiperazine
CID 113079667
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643444
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid
CID 139618989

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
The IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline (CID 9161620) is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline.
What is the SMILES notation for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
The canonical SMILES for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline is Nc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
The InChIKey is JKJRUGOMCAGNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)21(18,19)14-2-1-11-20-14/h1-6,11H,7-10,15H2.
What are the key properties of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline has a molecular weight of 323.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline is sourced from PubChem (CID 9161620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).