5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C11H16N2O2S2 — CID 71943203

IUPAC5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(N1CCCC1)N1CCc2sccc2C1
InChIInChI=1S/C11H16N2O2S2/c14-17(15,12-5-1-2-6-12)13-7-3-11-10(9-13)4-8-16-11/h4,8H,1-3,5-7,9H2
InChIKeySRVKUTPMPAAKEE-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.45
Rot. Bonds2

About 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71943203) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71943203
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(N1CCCC1)N1CCc2sccc2C1
InChIInChI=1S/C11H16N2O2S2/c14-17(15,12-5-1-2-6-12)13-7-3-11-10(9-13)4-8-16-11/h4,8H,1-3,5-7,9H2
InChIKeySRVKUTPMPAAKEE-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71943203) is 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(N1CCCC1)N1CCc2sccc2C1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is SRVKUTPMPAAKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c14-17(15,12-5-1-2-6-12)13-7-3-11-10(9-13)4-8-16-11/h4,8H,1-3,5-7,9H2.
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 272.39 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71943203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).