ethyl 2-(ethylsulfamoylamino)propanoate

C7H16N2O4S — CID 115638422

IUPACethyl 2-(ethylsulfamoylamino)propanoate
SMILESCCNS(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C7H16N2O4S/c1-4-8-14(11,12)9-6(3)7(10)13-5-2/h6,8-9H,4-5H2,1-3H3
InChIKeyUVZMGEWVOCHALY-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.62
Rot. Bonds6

About ethyl 2-(ethylsulfamoylamino)propanoate

ethyl 2-(ethylsulfamoylamino)propanoate (PubChem CID 115638422) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl 2-(ethylsulfamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(ethylsulfamoylamino)propanoate
PubChem CID115638422
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Nameethyl 2-(ethylsulfamoylamino)propanoate
SMILESCCNS(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C7H16N2O4S/c1-4-8-14(11,12)9-6(3)7(10)13-5-2/h6,8-9H,4-5H2,1-3H3
InChIKeyUVZMGEWVOCHALY-UHFFFAOYSA-N
XLogP-0.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(ethylsulfamoylamino)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate
CID 103821556
2-(ethylsulfamoylamino)propanethioamide
CID 114808115
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
CID 22627927
ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
CID 82842273
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
ethyl 2-[(4-amino-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 79588437
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
ethyl 2-[(3-amino-5-methylphenyl)sulfonylamino]propanoate
CID 61498508
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
CID 61499285
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylsulfamoylamino)propanoate?
The IUPAC name of ethyl 2-(ethylsulfamoylamino)propanoate (CID 115638422) is ethyl 2-(ethylsulfamoylamino)propanoate.
What is the SMILES notation for ethyl 2-(ethylsulfamoylamino)propanoate?
The canonical SMILES for ethyl 2-(ethylsulfamoylamino)propanoate is CCNS(=O)(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylsulfamoylamino)propanoate?
The InChIKey is UVZMGEWVOCHALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-4-8-14(11,12)9-6(3)7(10)13-5-2/h6,8-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(ethylsulfamoylamino)propanoate?
ethyl 2-(ethylsulfamoylamino)propanoate has a molecular weight of 224.28 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylsulfamoylamino)propanoate is sourced from PubChem (CID 115638422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).