2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C14H20N2O5S2 — CID 56703465

IUPAC2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NC2CCC(O)CC2)sc2c1CCNC2
InChIInChI=1S/C14H20N2O5S2/c17-9-3-1-8(2-4-9)16-23(20,21)14-12(13(18)19)10-5-6-15-7-11(10)22-14/h8-9,15-17H,1-7H2,(H,18,19)
InChIKeyWHTAMMQGTGUALY-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.67
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56703465) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56703465
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NC2CCC(O)CC2)sc2c1CCNC2
InChIInChI=1S/C14H20N2O5S2/c17-9-3-1-8(2-4-9)16-23(20,21)14-12(13(18)19)10-5-6-15-7-11(10)22-14/h8-9,15-17H,1-7H2,(H,18,19)
InChIKeyWHTAMMQGTGUALY-UHFFFAOYSA-N
XLogP0.67
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56703465) is 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c(S(=O)(=O)NC2CCC(O)CC2)sc2c1CCNC2.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is WHTAMMQGTGUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c17-9-3-1-8(2-4-9)16-23(20,21)14-12(13(18)19)10-5-6-15-7-11(10)22-14/h8-9,15-17H,1-7H2,(H,18,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56703465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).