N-(1-ethylsulfanylethenyl)prop-2-en-1-amine

C7H13NS — CID 130242977

IUPACN-(1-ethylsulfanylethenyl)prop-2-en-1-amine
SMILESC=CCNC(=C)SCC
InChIInChI=1S/C7H13NS/c1-4-6-8-7(3)9-5-2/h4,8H,1,3,5-6H2,2H3
InChIKeyGPXWCFOZMFBQMK-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.99
Rot. Bonds5

About N-(1-ethylsulfanylethenyl)prop-2-en-1-amine

N-(1-ethylsulfanylethenyl)prop-2-en-1-amine (PubChem CID 130242977) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-(1-ethylsulfanylethenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylethenyl)prop-2-en-1-amine
PubChem CID130242977
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-(1-ethylsulfanylethenyl)prop-2-en-1-amine
SMILESC=CCNC(=C)SCC
InChIInChI=1S/C7H13NS/c1-4-6-8-7(3)9-5-2/h4,8H,1,3,5-6H2,2H3
InChIKeyGPXWCFOZMFBQMK-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(1-ethylsulfanylethenyl)prop-2-en-1-amine?
The IUPAC name of N-(1-ethylsulfanylethenyl)prop-2-en-1-amine (CID 130242977) is N-(1-ethylsulfanylethenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(1-ethylsulfanylethenyl)prop-2-en-1-amine?
The canonical SMILES for N-(1-ethylsulfanylethenyl)prop-2-en-1-amine is C=CCNC(=C)SCC.
What is the InChIKey of N-(1-ethylsulfanylethenyl)prop-2-en-1-amine?
The InChIKey is GPXWCFOZMFBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-6-8-7(3)9-5-2/h4,8H,1,3,5-6H2,2H3.
What are the key properties of N-(1-ethylsulfanylethenyl)prop-2-en-1-amine?
N-(1-ethylsulfanylethenyl)prop-2-en-1-amine has a molecular weight of 143.25 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylethenyl)prop-2-en-1-amine is sourced from PubChem (CID 130242977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).