N-(ethoxysulfamoyl)ethanamine

C4H12N2O3S — CID 114807184

IUPACN-(ethoxysulfamoyl)ethanamine
SMILESCCNS(=O)(=O)NOCC
InChIInChI=1S/C4H12N2O3S/c1-3-5-10(7,8)6-9-4-2/h5-6H,3-4H2,1-2H3
InChIKeySEHABQBWSIDMHU-UHFFFAOYSA-N
MW168.22 g/mol
LogP-0.62
Rot. Bonds5

About N-(ethoxysulfamoyl)ethanamine

N-(ethoxysulfamoyl)ethanamine (PubChem CID 114807184) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is N-(ethoxysulfamoyl)ethanamine.

Molecular Properties

Compound NameN-(ethoxysulfamoyl)ethanamine
PubChem CID114807184
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC NameN-(ethoxysulfamoyl)ethanamine
SMILESCCNS(=O)(=O)NOCC
InChIInChI=1S/C4H12N2O3S/c1-3-5-10(7,8)6-9-4-2/h5-6H,3-4H2,1-2H3
InChIKeySEHABQBWSIDMHU-UHFFFAOYSA-N
XLogP-0.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(ethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814909
N-ethoxy-1-fluoromethanesulfonamide
CID 175588420
2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
(ethylsulfamoylamino)methanol
CID 117126069
N-(2-methylpropoxysulfamoyl)propan-1-amine
CID 114807196
N-ethoxy-2-methoxyethanesulfonamide
CID 64973778
ethyl 2-(ethylsulfamoylamino)propanoate
CID 115638422
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
sodium;ethyl N-ethylsulfamate;hydride
CID 174521414
N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine
CID 175537950
amino N-ethylsulfamate
CID 141419939

Frequently Asked Questions

What is the IUPAC name of N-(ethoxysulfamoyl)ethanamine?
The IUPAC name of N-(ethoxysulfamoyl)ethanamine (CID 114807184) is N-(ethoxysulfamoyl)ethanamine.
What is the SMILES notation for N-(ethoxysulfamoyl)ethanamine?
The canonical SMILES for N-(ethoxysulfamoyl)ethanamine is CCNS(=O)(=O)NOCC.
What is the InChIKey of N-(ethoxysulfamoyl)ethanamine?
The InChIKey is SEHABQBWSIDMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-3-5-10(7,8)6-9-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(ethoxysulfamoyl)ethanamine?
N-(ethoxysulfamoyl)ethanamine has a molecular weight of 168.22 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxysulfamoyl)ethanamine is sourced from PubChem (CID 114807184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).