2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine

C17H18N2O2S2 — CID 86793550

IUPAC2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
SMILESCS(=O)(=O)CC(NCc1cnc2ccsc2c1)c1ccccc1
InChIInChI=1S/C17H18N2O2S2/c1-23(20,21)12-16(14-5-3-2-4-6-14)19-11-13-9-17-15(18-10-13)7-8-22-17/h2-10,16,19H,11-12H2,1H3
InChIKeyZPCZTUZPSMWIKL-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.17
Rot. Bonds6

About 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine

2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine (PubChem CID 86793550) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
PubChem CID86793550
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
SMILESCS(=O)(=O)CC(NCc1cnc2ccsc2c1)c1ccccc1
InChIInChI=1S/C17H18N2O2S2/c1-23(20,21)12-16(14-5-3-2-4-6-14)19-11-13-9-17-15(18-10-13)7-8-22-17/h2-10,16,19H,11-12H2,1H3
InChIKeyZPCZTUZPSMWIKL-UHFFFAOYSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine (CID 86793550) is 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine is CS(=O)(=O)CC(NCc1cnc2ccsc2c1)c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
The InChIKey is ZPCZTUZPSMWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-23(20,21)12-16(14-5-3-2-4-6-14)19-11-13-9-17-15(18-10-13)7-8-22-17/h2-10,16,19H,11-12H2,1H3.
What are the key properties of 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine?
2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine has a molecular weight of 346.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine is sourced from PubChem (CID 86793550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).