[methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid

C7H17N3O5S — CID 87278658

IUPAC[methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid
SMILESCNCCOCCN(C)S(=O)(=O)NC(=O)O
InChIInChI=1S/C7H17N3O5S/c1-8-3-5-15-6-4-10(2)16(13,14)9-7(11)12/h8-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyZVSCOYAMUOUIHR-UHFFFAOYSA-N
MW255.30 g/mol
LogP-1.33
Rot. Bonds8

About [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid

[methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid (PubChem CID 87278658) has the molecular formula C7H17N3O5S and a molecular weight of 255.30 g/mol. Its IUPAC name is [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid.

Molecular Properties

Compound Name[methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid
PubChem CID87278658
Molecular FormulaC7H17N3O5S
Molecular Weight255.30 g/mol
Exact Mass255.09
IUPAC Name[methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid
SMILESCNCCOCCN(C)S(=O)(=O)NC(=O)O
InChIInChI=1S/C7H17N3O5S/c1-8-3-5-15-6-4-10(2)16(13,14)9-7(11)12/h8-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyZVSCOYAMUOUIHR-UHFFFAOYSA-N
XLogP-1.33
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid 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 [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid?
The IUPAC name of [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid (CID 87278658) is [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid.
What is the SMILES notation for [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid?
The canonical SMILES for [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid is CNCCOCCN(C)S(=O)(=O)NC(=O)O.
What is the InChIKey of [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid?
The InChIKey is ZVSCOYAMUOUIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O5S/c1-8-3-5-15-6-4-10(2)16(13,14)9-7(11)12/h8-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid?
[methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid has a molecular weight of 255.30 g/mol, XLogP of -1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[2-[2-(methylamino)ethoxy]ethyl]sulfamoyl]carbamic acid is sourced from PubChem (CID 87278658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).