N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C12H18N4O3S — CID 107356148

IUPACN-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C12H18N4O3S/c13-20(18,19)7-3-6-14-12(17)11-8-15-9-4-1-2-5-10(9)16-11/h1-2,4-5,11,15-16H,3,6-8H2,(H,14,17)(H2,13,18,19)
InChIKeySTIYJNXDEUXOBT-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.31
Rot. Bonds5

About N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356148) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356148
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C12H18N4O3S/c13-20(18,19)7-3-6-14-12(17)11-8-15-9-4-1-2-5-10(9)16-11/h1-2,4-5,11,15-16H,3,6-8H2,(H,14,17)(H2,13,18,19)
InChIKeySTIYJNXDEUXOBT-UHFFFAOYSA-N
XLogP-0.31
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356184
N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356351
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356144
N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356183
(3S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896423
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356078
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356189
(1S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94188090
N-[3-(methanesulfonamido)propyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 106339564
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356148) is N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is NS(=O)(=O)CCCNC(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is STIYJNXDEUXOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c13-20(18,19)7-3-6-14-12(17)11-8-15-9-4-1-2-5-10(9)16-11/h1-2,4-5,11,15-16H,3,6-8H2,(H,14,17)(H2,13,18,19).
What are the key properties of N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).