2-(prop-2-enylamino)ethanesulfonamide

C5H12N2O2S — CID 87255892

IUPAC2-(prop-2-enylamino)ethanesulfonamide
SMILESC=CCNCCS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-3-7-4-5-10(6,8)9/h2,7H,1,3-5H2,(H2,6,8,9)
InChIKeyIFBRQAYXWSTWRO-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.95
Rot. Bonds5

About 2-(prop-2-enylamino)ethanesulfonamide

2-(prop-2-enylamino)ethanesulfonamide (PubChem CID 87255892) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(prop-2-enylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)ethanesulfonamide
PubChem CID87255892
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-(prop-2-enylamino)ethanesulfonamide
SMILESC=CCNCCS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-3-7-4-5-10(6,8)9/h2,7H,1,3-5H2,(H2,6,8,9)
InChIKeyIFBRQAYXWSTWRO-UHFFFAOYSA-N
XLogP-0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)ethanesulfonamide?
The IUPAC name of 2-(prop-2-enylamino)ethanesulfonamide (CID 87255892) is 2-(prop-2-enylamino)ethanesulfonamide.
What is the SMILES notation for 2-(prop-2-enylamino)ethanesulfonamide?
The canonical SMILES for 2-(prop-2-enylamino)ethanesulfonamide is C=CCNCCS(N)(=O)=O.
What is the InChIKey of 2-(prop-2-enylamino)ethanesulfonamide?
The InChIKey is IFBRQAYXWSTWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-3-7-4-5-10(6,8)9/h2,7H,1,3-5H2,(H2,6,8,9).
What are the key properties of 2-(prop-2-enylamino)ethanesulfonamide?
2-(prop-2-enylamino)ethanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)ethanesulfonamide is sourced from PubChem (CID 87255892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).