2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C10H12ClNO2S2 — CID 122162038

IUPAC2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO2S2/c11-10-5-7-6-12(4-3-9(7)15-10)16(13,14)8-1-2-8/h5,8H,1-4,6H2
InChIKeyZILLLIJFRDARTK-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 122162038) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID122162038
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO2S2/c11-10-5-7-6-12(4-3-9(7)15-10)16(13,14)8-1-2-8/h5,8H,1-4,6H2
InChIKeyZILLLIJFRDARTK-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 122162038) is 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(C1CC1)N1CCc2sc(Cl)cc2C1.
What is the InChIKey of 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ZILLLIJFRDARTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c11-10-5-7-6-12(4-3-9(7)15-10)16(13,14)8-1-2-8/h5,8H,1-4,6H2.
What are the key properties of 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 277.80 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopropylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 122162038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).