methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate

C9H10ClNO4S2 — CID 167732663

IUPACmethyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CCN(S(=O)(=O)Cl)C2
InChIInChI=1S/C9H10ClNO4S2/c1-15-9(12)8-4-6-5-11(17(10,13)14)3-2-7(6)16-8/h4H,2-3,5H2,1H3
InChIKeyGBYJCQPEOLGFSF-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.38
Rot. Bonds2

About methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate

methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate (PubChem CID 167732663) has the molecular formula C9H10ClNO4S2 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
PubChem CID167732663
Molecular FormulaC9H10ClNO4S2
Molecular Weight295.77 g/mol
Exact Mass294.97
IUPAC Namemethyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CCN(S(=O)(=O)Cl)C2
InChIInChI=1S/C9H10ClNO4S2/c1-15-9(12)8-4-6-5-11(17(10,13)14)3-2-7(6)16-8/h4H,2-3,5H2,1H3
InChIKeyGBYJCQPEOLGFSF-UHFFFAOYSA-N
XLogP1.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate (CID 167732663) is methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2c(s1)CCN(S(=O)(=O)Cl)C2.
What is the InChIKey of methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is GBYJCQPEOLGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S2/c1-15-9(12)8-4-6-5-11(17(10,13)14)3-2-7(6)16-8/h4H,2-3,5H2,1H3.
What are the key properties of methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate?
methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chlorosulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 167732663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).