2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole

C6H11N5O4S — CID 57413968

IUPAC2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole
SMILESCc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O
InChIInChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15)
InChIKeyAVSMSXHPIYIKIJ-UHFFFAOYSA-N
MW249.25 g/mol
LogP-1.11
Rot. Bonds5

About 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole

2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole (PubChem CID 57413968) has the molecular formula C6H11N5O4S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole.

Molecular Properties

Compound Name2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole
PubChem CID57413968
Molecular FormulaC6H11N5O4S
Molecular Weight249.25 g/mol
Exact Mass249.05
IUPAC Name2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole
SMILESCc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O
InChIInChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15)
InChIKeyAVSMSXHPIYIKIJ-UHFFFAOYSA-N
XLogP-1.11
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
The IUPAC name of 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole (CID 57413968) is 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole.
What is the SMILES notation for 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
The canonical SMILES for 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole is Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O.
What is the InChIKey of 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
The InChIKey is AVSMSXHPIYIKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15).
What are the key properties of 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole?
2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole has a molecular weight of 249.25 g/mol, XLogP of -1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole is sourced from PubChem (CID 57413968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).