2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide

C8H17N3O3S — CID 79280560

IUPAC2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide
SMILESC=CCNCC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-2-4-10-7-8(12)11-5-3-6-15(9,13)14/h2,10H,1,3-7H2,(H,11,12)(H2,9,13,14)
InChIKeyORHNMIQOORJUJH-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.44
Rot. Bonds8

About 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide

2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide (PubChem CID 79280560) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide
PubChem CID79280560
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide
SMILESC=CCNCC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-2-4-10-7-8(12)11-5-3-6-15(9,13)14/h2,10H,1,3-7H2,(H,11,12)(H2,9,13,14)
InChIKeyORHNMIQOORJUJH-UHFFFAOYSA-N
XLogP-1.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 83110912
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
CID 76927870
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285589
N-(3-sulfamoylpropyl)prop-2-ynamide
CID 61132242
2-(2-methoxyethylamino)-N-(2-sulfamoylethyl)acetamide
CID 79281474
4-oxo-4-(3-sulfamoylpropylamino)but-2-enoic acid
CID 76927988
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
4-[2-[[2-(prop-2-enylamino)acetyl]amino]ethyl]benzoic acid
CID 79278512

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide (CID 79280560) is 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide is C=CCNCC(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide?
The InChIKey is ORHNMIQOORJUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-2-4-10-7-8(12)11-5-3-6-15(9,13)14/h2,10H,1,3-7H2,(H,11,12)(H2,9,13,14).
What are the key properties of 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide?
2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide has a molecular weight of 235.31 g/mol, XLogP of -1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide is sourced from PubChem (CID 79280560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).