[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'}

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Related Compounds

N-methyl-2-[2-(methylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359457
N-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 166694904
2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
CID 174189370
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 171530208
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
3-[[2-(2-hydroxyethoxy)ethyl-methylsulfamoyl]-methylamino]propanoic acid
CID 114243042
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274

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).