2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide

C8H16N2O2S — CID 87990603

IUPAC2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide
SMILESC=CCC(N)(CC=C)CS(N)(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-3-5-8(9,6-4-2)7-13(10,11)12/h3-4H,1-2,5-7,9H2,(H2,10,11,12)
InChIKeyYTGXTZTXLKHJQU-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.12
Rot. Bonds6

About 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide

2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide (PubChem CID 87990603) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide.

Molecular Properties

Compound Name2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide
PubChem CID87990603
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide
SMILESC=CCC(N)(CC=C)CS(N)(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-3-5-8(9,6-4-2)7-13(10,11)12/h3-4H,1-2,5-7,9H2,(H2,10,11,12)
InChIKeyYTGXTZTXLKHJQU-UHFFFAOYSA-N
XLogP0.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.12
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 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide?
The IUPAC name of 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide (CID 87990603) is 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide.
What is the SMILES notation for 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide?
The canonical SMILES for 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide is C=CCC(N)(CC=C)CS(N)(=O)=O.
What is the InChIKey of 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide?
The InChIKey is YTGXTZTXLKHJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-5-8(9,6-4-2)7-13(10,11)12/h3-4H,1-2,5-7,9H2,(H2,10,11,12).
What are the key properties of 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide?
2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide has a molecular weight of 204.29 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-prop-2-enylpent-4-ene-1-sulfonamide is sourced from PubChem (CID 87990603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).