2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine

C7H18N2O4S — CID 114814912

IUPAC2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
SMILESCOCCNS(=O)(=O)NOCC(C)C
InChIInChI=1S/C7H18N2O4S/c1-7(2)6-13-9-14(10,11)8-4-5-12-3/h7-9H,4-6H2,1-3H3
InChIKeyNKVGWBDWMGOZPH-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.36
Rot. Bonds8

About 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine

2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine (PubChem CID 114814912) has the molecular formula C7H18N2O4S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
PubChem CID114814912
Molecular FormulaC7H18N2O4S
Molecular Weight226.30 g/mol
Exact Mass226.10
IUPAC Name2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
SMILESCOCCNS(=O)(=O)NOCC(C)C
InChIInChI=1S/C7H18N2O4S/c1-7(2)6-13-9-14(10,11)8-4-5-12-3/h7-9H,4-6H2,1-3H3
InChIKeyNKVGWBDWMGOZPH-UHFFFAOYSA-N
XLogP-0.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropoxysulfamoyl)propan-1-amine
CID 114807196
N-(2-methoxyethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814915
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine?
The IUPAC name of 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine (CID 114814912) is 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine is COCCNS(=O)(=O)NOCC(C)C.
What is the InChIKey of 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine?
The InChIKey is NKVGWBDWMGOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S/c1-7(2)6-13-9-14(10,11)8-4-5-12-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine?
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine has a molecular weight of 226.30 g/mol, XLogP of -0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine is sourced from PubChem (CID 114814912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).