2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide

C10H15N5O3S — CID 10493372

IUPAC2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide
SMILES[H]/N=C(\N)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N5O3S/c1-15(10(11)12)6-9(16)14-7-2-4-8(5-3-7)19(13,17)18/h2-5H,6H2,1H3,(H3,11,12)(H,14,16)(H2,13,17,18)
InChIKeyJBTWLZMTMWBTND-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.90
Rot. Bonds4

About 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide

2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 10493372) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID10493372
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide
SMILES[H]/N=C(\N)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N5O3S/c1-15(10(11)12)6-9(16)14-7-2-4-8(5-3-7)19(13,17)18/h2-5H,6H2,1H3,(H3,11,12)(H,14,16)(H2,13,17,18)
InChIKeyJBTWLZMTMWBTND-UHFFFAOYSA-N
XLogP-0.90
TPSA142.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide (CID 10493372) is 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide is [H]/N=C(\N)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is JBTWLZMTMWBTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-15(10(11)12)6-9(16)14-7-2-4-8(5-3-7)19(13,17)18/h2-5H,6H2,1H3,(H3,11,12)(H,14,16)(H2,13,17,18).
What are the key properties of 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide?
2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 285.33 g/mol, XLogP of -0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 10493372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).