N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline

C16H21N3O2S2 — CID 113078798

IUPACN,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H21N3O2S2/c1-17(2)14-5-7-15(8-6-14)18-9-11-19(12-10-18)23(20,21)16-4-3-13-22-16/h3-8,13H,9-12H2,1-2H3
InChIKeyINPBDUIAUYYPGA-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.33
Rot. Bonds4

About N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline

N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline (PubChem CID 113078798) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
PubChem CID113078798
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H21N3O2S2/c1-17(2)14-5-7-15(8-6-14)18-9-11-19(12-10-18)23(20,21)16-4-3-13-22-16/h3-8,13H,9-12H2,1-2H3
InChIKeyINPBDUIAUYYPGA-UHFFFAOYSA-N
XLogP2.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
(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
N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 43957215
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27420842
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
CID 110364270
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-thiophen-2-ylsulfonylpiperidine
CID 765823
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643444
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline (CID 113078798) is N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline is CN(C)c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
The InChIKey is INPBDUIAUYYPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-17(2)14-5-7-15(8-6-14)18-9-11-19(12-10-18)23(20,21)16-4-3-13-22-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline?
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline has a molecular weight of 351.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline is sourced from PubChem (CID 113078798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).