2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine

C5H11NS — CID 20495465

IUPAC2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCN
InChIInChI=1S/C5H11NS/c1-2-4-7-5-3-6/h2H,1,3-6H2
InChIKeyMMWBFUNZJZFKBS-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.60
Rot. Bonds4

About 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine

2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine (PubChem CID 20495465) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound Name2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine
PubChem CID20495465
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCN
InChIInChI=1S/C5H11NS/c1-2-4-7-5-3-6/h2H,1,3-6H2
InChIKeyMMWBFUNZJZFKBS-UHFFFAOYSA-N
XLogP0.60
TPSA51.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity45

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylsulfanyl)but-2-en-1-amine
CID 66045591
3-(2-Fluoroprop-2-enylsulfanyl)propan-1-amine
CID 58684106
2-(2-Fluoroprop-2-enylsulfanyl)ethanamine
CID 58684429
2-(But-1-en-3-yn-1-ylsulfanyl)ethylamine
CID 74033310
(2-Aminoethyl)thiophene-thiol
CID 129805747
3-Prop-2-enylsulfanylpropan-1-amine
CID 20339959
(E)-4-methylsulfanylbut-3-en-1-amine
CID 23584008
2-[(E)-but-2-enyl]sulfanylethanamine
CID 24693964
2-(3-Methylbut-2-enylsulfanyl)ethanamine
CID 24700698
2-(2-Chloroprop-2-enylsulfanyl)ethanamine
CID 24702605
2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine
CID 24704936
2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine hydrochloride
CID 47002380

Frequently Asked Questions

What is the IUPAC name of 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine?
The IUPAC name of 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine (CID 20495465) is 2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine?
The canonical SMILES for 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine is C=CCSCCN.
What is the InChIKey of 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine?
The InChIKey is MMWBFUNZJZFKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-2-4-7-5-3-6/h2H,1,3-6H2.
What are the key properties of 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine?
2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine has a molecular weight of 117.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine is sourced from PubChem (CID 20495465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).