3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide

C12H17NO2S2 — CID 155798226

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCc3sccc3C2)C1
InChIInChI=1S/C12H17NO2S2/c14-17(15)6-3-10(9-17)7-13-4-1-12-11(8-13)2-5-16-12/h2,5,10H,1,3-4,6-9H2
InChIKeyUSRDAKJKWPGPLK-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.54
Rot. Bonds2

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide (PubChem CID 155798226) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide
PubChem CID155798226
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCc3sccc3C2)C1
InChIInChI=1S/C12H17NO2S2/c14-17(15)6-3-10(9-17)7-13-4-1-12-11(8-13)2-5-16-12/h2,5,10H,1,3-4,6-9H2
InChIKeyUSRDAKJKWPGPLK-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide (CID 155798226) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide is O=S1(=O)CCC(CN2CCc3sccc3C2)C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide?
The InChIKey is USRDAKJKWPGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c14-17(15)6-3-10(9-17)7-13-4-1-12-11(8-13)2-5-16-12/h2,5,10H,1,3-4,6-9H2.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide has a molecular weight of 271.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 155798226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).