N-(2-amino-2-sulfonylethyl)prop-2-enamide

C5H8N2O3S — CID 87964760

IUPACN-(2-amino-2-sulfonylethyl)prop-2-enamide
SMILESC=CC(=O)NCC(N)=S(=O)=O
InChIInChI=1S/C5H8N2O3S/c1-2-5(8)7-3-4(6)11(9)10/h2H,1,3,6H2,(H,7,8)
InChIKeyVGJLXFODWHJNSO-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.74
Rot. Bonds3

About N-(2-amino-2-sulfonylethyl)prop-2-enamide

N-(2-amino-2-sulfonylethyl)prop-2-enamide (PubChem CID 87964760) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is N-(2-amino-2-sulfonylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfonylethyl)prop-2-enamide
PubChem CID87964760
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC NameN-(2-amino-2-sulfonylethyl)prop-2-enamide
SMILESC=CC(=O)NCC(N)=S(=O)=O
InChIInChI=1S/C5H8N2O3S/c1-2-5(8)7-3-4(6)11(9)10/h2H,1,3,6H2,(H,7,8)
InChIKeyVGJLXFODWHJNSO-UHFFFAOYSA-N
XLogP-1.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-amino-2-sulfonylethyl)prop-2-enamide 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

2-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 87325841
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
hepta-2,5-dienediamide;N-(hydroxymethyl)prop-2-enamide
CID 163671957
CID 173161904
CID 173161904
4-(prop-2-enoylamino)butanamide
CID 60864661
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
CID 89005604
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 139534058
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 88793107

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfonylethyl)prop-2-enamide?
The IUPAC name of N-(2-amino-2-sulfonylethyl)prop-2-enamide (CID 87964760) is N-(2-amino-2-sulfonylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-amino-2-sulfonylethyl)prop-2-enamide?
The canonical SMILES for N-(2-amino-2-sulfonylethyl)prop-2-enamide is C=CC(=O)NCC(N)=S(=O)=O.
What is the InChIKey of N-(2-amino-2-sulfonylethyl)prop-2-enamide?
The InChIKey is VGJLXFODWHJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-2-5(8)7-3-4(6)11(9)10/h2H,1,3,6H2,(H,7,8).
What are the key properties of N-(2-amino-2-sulfonylethyl)prop-2-enamide?
N-(2-amino-2-sulfonylethyl)prop-2-enamide has a molecular weight of 176.20 g/mol, XLogP of -1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfonylethyl)prop-2-enamide is sourced from PubChem (CID 87964760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).