1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide

C9H17N5O3S — CID 106336759

IUPAC1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C9H17N5O3S/c1-11-18(16,17)5-3-12-9(15)8-6-14(4-2-10)7-13-8/h6-7,11H,2-5,10H2,1H3,(H,12,15)
InChIKeyHCVBWNPQHKJNAP-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.88
Rot. Bonds7

About 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide (PubChem CID 106336759) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
PubChem CID106336759
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C9H17N5O3S/c1-11-18(16,17)5-3-12-9(15)8-6-14(4-2-10)7-13-8/h6-7,11H,2-5,10H2,1H3,(H,12,15)
InChIKeyHCVBWNPQHKJNAP-UHFFFAOYSA-N
XLogP-1.88
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide (CID 106336759) is 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide is CNS(=O)(=O)CCNC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide?
The InChIKey is HCVBWNPQHKJNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-11-18(16,17)5-3-12-9(15)8-6-14(4-2-10)7-13-8/h6-7,11H,2-5,10H2,1H3,(H,12,15).
What are the key properties of 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 106336759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).