2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine

C7H15NS — CID 103068190

IUPAC2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CSCC
InChIInChI=1S/C7H15NS/c1-4-9-6-7(2)5-8-3/h8H,2,4-6H2,1,3H3
InChIKeyPNUOQYJVZHASSW-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.52
Rot. Bonds5

About 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine

2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine (PubChem CID 103068190) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine
PubChem CID103068190
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CSCC
InChIInChI=1S/C7H15NS/c1-4-9-6-7(2)5-8-3/h8H,2,4-6H2,1,3H3
InChIKeyPNUOQYJVZHASSW-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

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
1-butylidene-N,3-dimethyl-2H-thiet-2-amine
CID 123663082
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
2-Methyl-1-(methylamino)prop-2-ene-1-thiol
CID 138664347
(Z)-N,2-dimethyl-3-methylsulfanylprop-2-en-1-amine
CID 139565675
N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine
CID 155471975
(7Z)-7-methyl-2,3,4,5,6,9-hexahydro-1,5-thiazonine
CID 169804307

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine (CID 103068190) is 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine is C=C(CNC)CSCC.
What is the InChIKey of 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine?
The InChIKey is PNUOQYJVZHASSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-9-6-7(2)5-8-3/h8H,2,4-6H2,1,3H3.
What are the key properties of 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine?
2-(ethylsulfanylmethyl)-N-methylprop-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 2-(ethylsulfanylmethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103068190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).