2-prop-2-enylsulfinylethanamine

C5H11NOS — CID 58684853

IUPAC2-prop-2-enylsulfinylethanamine
SMILESC=CCS(=O)CCN
InChIInChI=1S/C5H11NOS/c1-2-4-8(7)5-3-6/h2H,1,3-6H2
InChIKeyWQBLTTPTCVFLDM-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.12
Rot. Bonds4

About 2-prop-2-enylsulfinylethanamine

2-prop-2-enylsulfinylethanamine (PubChem CID 58684853) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-prop-2-enylsulfinylethanamine.

Molecular Properties

Compound Name2-prop-2-enylsulfinylethanamine
PubChem CID58684853
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name2-prop-2-enylsulfinylethanamine
SMILESC=CCS(=O)CCN
InChIInChI=1S/C5H11NOS/c1-2-4-8(7)5-3-6/h2H,1,3-6H2
InChIKeyWQBLTTPTCVFLDM-UHFFFAOYSA-N
XLogP-0.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine
CID 20495465
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
2-(2-Fluoroprop-2-enylsulfinyl)ethanamine
CID 58684422
3-(2-Fluoroprop-2-enylsulfinyl)propan-1-amine
CID 58684458
3-Prop-2-enylsulfanylpropan-1-amine
CID 20339959
2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine hydrochloride
CID 47002380
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607
2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
CID 58684163
2-Prop-2-enylsulfanylpropan-1-amine
CID 58684237
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
4-Prop-2-enylsulfinylbutan-2-amine
CID 58684301
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684303

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfinylethanamine?
The IUPAC name of 2-prop-2-enylsulfinylethanamine (CID 58684853) is 2-prop-2-enylsulfinylethanamine.
What is the SMILES notation for 2-prop-2-enylsulfinylethanamine?
The canonical SMILES for 2-prop-2-enylsulfinylethanamine is C=CCS(=O)CCN.
What is the InChIKey of 2-prop-2-enylsulfinylethanamine?
The InChIKey is WQBLTTPTCVFLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-2-4-8(7)5-3-6/h2H,1,3-6H2.
What are the key properties of 2-prop-2-enylsulfinylethanamine?
2-prop-2-enylsulfinylethanamine has a molecular weight of 133.22 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfinylethanamine is sourced from PubChem (CID 58684853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).