1-(prop-2-enylamino)ethanesulfonamide

C5H12N2O2S — CID 87255890

IUPAC1-(prop-2-enylamino)ethanesulfonamide
SMILESC=CCNC(C)S(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-3-4-7-5(2)10(6,8)9/h3,5,7H,1,4H2,2H3,(H2,6,8,9)
InChIKeyRSRRAUHSPOVTRK-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.60
Rot. Bonds4

About 1-(prop-2-enylamino)ethanesulfonamide

1-(prop-2-enylamino)ethanesulfonamide (PubChem CID 87255890) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-(prop-2-enylamino)ethanesulfonamide.

Molecular Properties

Compound Name1-(prop-2-enylamino)ethanesulfonamide
PubChem CID87255890
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name1-(prop-2-enylamino)ethanesulfonamide
SMILESC=CCNC(C)S(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-3-4-7-5(2)10(6,8)9/h3,5,7H,1,4H2,2H3,(H2,6,8,9)
InChIKeyRSRRAUHSPOVTRK-UHFFFAOYSA-N
XLogP-0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)ethanesulfonamide?
The IUPAC name of 1-(prop-2-enylamino)ethanesulfonamide (CID 87255890) is 1-(prop-2-enylamino)ethanesulfonamide.
What is the SMILES notation for 1-(prop-2-enylamino)ethanesulfonamide?
The canonical SMILES for 1-(prop-2-enylamino)ethanesulfonamide is C=CCNC(C)S(N)(=O)=O.
What is the InChIKey of 1-(prop-2-enylamino)ethanesulfonamide?
The InChIKey is RSRRAUHSPOVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-3-4-7-5(2)10(6,8)9/h3,5,7H,1,4H2,2H3,(H2,6,8,9).
What are the key properties of 1-(prop-2-enylamino)ethanesulfonamide?
1-(prop-2-enylamino)ethanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)ethanesulfonamide is sourced from PubChem (CID 87255890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).