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

C13H14N2O3S3 — CID 4779966

IUPACthiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H14N2O3S3/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
InChIKeyBATBYAGYVUNCPQ-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.96
Rot. Bonds3

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

thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 4779966) has the molecular formula C13H14N2O3S3 and a molecular weight of 342.47 g/mol. Its IUPAC name is thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namethiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID4779966
Molecular FormulaC13H14N2O3S3
Molecular Weight342.47 g/mol
Exact Mass342.02
IUPAC Namethiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H14N2O3S3/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
InChIKeyBATBYAGYVUNCPQ-UHFFFAOYSA-N
XLogP1.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
[4-(Benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 717233
1-(Methylsulfonyl)-4-[(5-methyl-3-thienyl)carbonyl]piperazine
CID 1245404
Cambridge id 7102043
CID 1332056
(3-Methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2571741
[4-(3-fluorophenyl)sulfonylpiperazino]-[(2S)-1-(2-thenoyl)pyrrolidin-2-yl]methanone
CID 16284591
(5-Methylthiophen-2-yl)[4-(phenylsulfonyl)piperazin-1-yl]methanone
CID 4506512

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 4779966) is thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is BATBYAGYVUNCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S3/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2.
What are the key properties of thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 342.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 4779966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).