amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate

C6H11N5O5S — CID 91937185

IUPACamino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate
SMILESCc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)ON
InChIInChI=1S/C6H11N5O5S/c1-5-8-4-6(11(12)13)10(5)3-2-9-17(14,15)16-7/h4,9H,2-3,7H2,1H3
InChIKeyYGMPOBRDSLWGFP-UHFFFAOYSA-N
MW265.25 g/mol
LogP-1.18
Rot. Bonds6

About amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate

amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate (PubChem CID 91937185) has the molecular formula C6H11N5O5S and a molecular weight of 265.25 g/mol. Its IUPAC name is amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate.

Molecular Properties

Compound Nameamino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate
PubChem CID91937185
Molecular FormulaC6H11N5O5S
Molecular Weight265.25 g/mol
Exact Mass265.05
IUPAC Nameamino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate
SMILESCc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)ON
InChIInChI=1S/C6H11N5O5S/c1-5-8-4-6(11(12)13)10(5)3-2-9-17(14,15)16-7/h4,9H,2-3,7H2,1H3
InChIKeyYGMPOBRDSLWGFP-UHFFFAOYSA-N
XLogP-1.18
TPSA142.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate?
The IUPAC name of amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate (CID 91937185) is amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate.
What is the SMILES notation for amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate?
The canonical SMILES for amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate is Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)ON.
What is the InChIKey of amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate?
The InChIKey is YGMPOBRDSLWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O5S/c1-5-8-4-6(11(12)13)10(5)3-2-9-17(14,15)16-7/h4,9H,2-3,7H2,1H3.
What are the key properties of amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate?
amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate has a molecular weight of 265.25 g/mol, XLogP of -1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate is sourced from PubChem (CID 91937185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).