1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide

C12H14N4O3S — CID 62155506

IUPAC1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NCCS(N)(=O)=O)cc2ccccc12
InChIInChI=1S/C12H14N4O3S/c13-11-9-4-2-1-3-8(9)7-10(16-11)12(17)15-5-6-20(14,18)19/h1-4,7H,5-6H2,(H2,13,16)(H,15,17)(H2,14,18,19)
InChIKeyCFIUFBOWOVGUFX-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.16
Rot. Bonds4

About 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide

1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide (PubChem CID 62155506) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
PubChem CID62155506
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NCCS(N)(=O)=O)cc2ccccc12
InChIInChI=1S/C12H14N4O3S/c13-11-9-4-2-1-3-8(9)7-10(16-11)12(17)15-5-6-20(14,18)19/h1-4,7H,5-6H2,(H2,13,16)(H,15,17)(H2,14,18,19)
InChIKeyCFIUFBOWOVGUFX-UHFFFAOYSA-N
XLogP-0.16
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide (CID 62155506) is 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide is Nc1nc(C(=O)NCCS(N)(=O)=O)cc2ccccc12.
What is the InChIKey of 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
The InChIKey is CFIUFBOWOVGUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-11-9-4-2-1-3-8(9)7-10(16-11)12(17)15-5-6-20(14,18)19/h1-4,7H,5-6H2,(H2,13,16)(H,15,17)(H2,14,18,19).
What are the key properties of 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide has a molecular weight of 294.34 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 62155506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).