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

C14H16N2O3S3 — CID 2571741

IUPAC(3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H16N2O3S3/c1-11-4-10-21-13(11)14(17)15-5-7-16(8-6-15)22(18,19)12-3-2-9-20-12/h2-4,9-10H,5-8H2,1H3
InChIKeyBISHHJGDVQRBLD-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.26
Rot. Bonds3

About (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2571741) has the molecular formula C14H16N2O3S3 and a molecular weight of 356.49 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2571741
Molecular FormulaC14H16N2O3S3
Molecular Weight356.49 g/mol
Exact Mass356.03
IUPAC Name(3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H16N2O3S3/c1-11-4-10-21-13(11)14(17)15-5-7-16(8-6-15)22(18,19)12-3-2-9-20-12/h2-4,9-10H,5-8H2,1H3
InChIKeyBISHHJGDVQRBLD-UHFFFAOYSA-N
XLogP2.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2571741) is (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is BISHHJGDVQRBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S3/c1-11-4-10-21-13(11)14(17)15-5-7-16(8-6-15)22(18,19)12-3-2-9-20-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2571741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).