(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C14H18N2O3S3 — CID 91950453

IUPAC(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)sc2s1
InChIInChI=1S/C14H18N2O3S3/c1-3-11-8-10-9-12(21-14(10)20-11)13(17)15-4-6-16(7-5-15)22(2,18)19/h8-9H,3-7H2,1-2H3
InChIKeyDXJHSEATUPGNOX-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.24
Rot. Bonds3

About (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 91950453) has the molecular formula C14H18N2O3S3 and a molecular weight of 358.51 g/mol. Its IUPAC name is (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID91950453
Molecular FormulaC14H18N2O3S3
Molecular Weight358.51 g/mol
Exact Mass358.05
IUPAC Name(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)sc2s1
InChIInChI=1S/C14H18N2O3S3/c1-3-11-8-10-9-12(21-14(10)20-11)13(17)15-4-6-16(7-5-15)22(2,18)19/h8-9H,3-7H2,1-2H3
InChIKeyDXJHSEATUPGNOX-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 91950453) is (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CCc1cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)sc2s1.
What is the InChIKey of (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is DXJHSEATUPGNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S3/c1-3-11-8-10-9-12(21-14(10)20-11)13(17)15-4-6-16(7-5-15)22(2,18)19/h8-9H,3-7H2,1-2H3.
What are the key properties of (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 358.51 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 91950453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).