6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

C16H18N4O5S — CID 53380320

IUPAC6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCOC(CNS(=O)(=O)c1ccc2[nH]c3c(C(N)=O)nccc3c2c1)OC
InChIInChI=1S/C16H18N4O5S/c1-24-13(25-2)8-19-26(22,23)9-3-4-12-11(7-9)10-5-6-18-15(16(17)21)14(10)20-12/h3-7,13,19-20H,8H2,1-2H3,(H2,17,21)
InChIKeyOPOGZVOLWPBAMY-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.71
Rot. Bonds7

About 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 53380320) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID53380320
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCOC(CNS(=O)(=O)c1ccc2[nH]c3c(C(N)=O)nccc3c2c1)OC
InChIInChI=1S/C16H18N4O5S/c1-24-13(25-2)8-19-26(22,23)9-3-4-12-11(7-9)10-5-6-18-15(16(17)21)14(10)20-12/h3-7,13,19-20H,8H2,1-2H3,(H2,17,21)
InChIKeyOPOGZVOLWPBAMY-UHFFFAOYSA-N
XLogP0.71
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (CID 53380320) is 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is COC(CNS(=O)(=O)c1ccc2[nH]c3c(C(N)=O)nccc3c2c1)OC.
What is the InChIKey of 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is OPOGZVOLWPBAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-24-13(25-2)8-19-26(22,23)9-3-4-12-11(7-9)10-5-6-18-15(16(17)21)14(10)20-12/h3-7,13,19-20H,8H2,1-2H3,(H2,17,21).
What are the key properties of 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 53380320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).