N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine

C7H15NS — CID 103068398

IUPACN-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNCC)CSC
InChIInChI=1S/C7H15NS/c1-4-8-5-7(2)6-9-3/h8H,2,4-6H2,1,3H3
InChIKeyYPQRYKTYGUFNEH-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.52
Rot. Bonds5

About N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine

N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068398) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068398
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNCC)CSC
InChIInChI=1S/C7H15NS/c1-4-8-5-7(2)6-9-3/h8H,2,4-6H2,1,3H3
InChIKeyYPQRYKTYGUFNEH-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.52
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-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 114616982
3-Methylidene-1,5-thiazocane
CID 22946746
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695349
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780
S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine
CID 89243600
2-methyl-N-(2-methylsulfinylethyl)prop-2-en-1-amine
CID 89887491
2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine
CID 123854918
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
[(2,5-Dihydrothiophen-3-yl)methyl](methyl)amine
CID 125424518
(Z)-N,2-dimethyl-3-methylsulfanylprop-2-en-1-amine
CID 139565675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine (CID 103068398) is N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine is C=C(CNCC)CSC.
What is the InChIKey of N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is YPQRYKTYGUFNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-8-5-7(2)6-9-3/h8H,2,4-6H2,1,3H3.
What are the key properties of N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine?
N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).