3-ethylsulfanyl-N-methylbut-3-en-2-amine

C7H15NS — CID 163566512

IUPAC3-ethylsulfanyl-N-methylbut-3-en-2-amine
SMILESC=C(SCC)C(C)NC
InChIInChI=1S/C7H15NS/c1-5-9-7(3)6(2)8-4/h6,8H,3,5H2,1-2,4H3
InChIKeyFVQXAIOVEOLYSZ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.86
Rot. Bonds4

About 3-ethylsulfanyl-N-methylbut-3-en-2-amine

3-ethylsulfanyl-N-methylbut-3-en-2-amine (PubChem CID 163566512) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-methylbut-3-en-2-amine
PubChem CID163566512
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-ethylsulfanyl-N-methylbut-3-en-2-amine
SMILESC=C(SCC)C(C)NC
InChIInChI=1S/C7H15NS/c1-5-9-7(3)6(2)8-4/h6,8H,3,5H2,1-2,4H3
InChIKeyFVQXAIOVEOLYSZ-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-methylbut-3-en-2-amine?
The IUPAC name of 3-ethylsulfanyl-N-methylbut-3-en-2-amine (CID 163566512) is 3-ethylsulfanyl-N-methylbut-3-en-2-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-methylbut-3-en-2-amine?
The canonical SMILES for 3-ethylsulfanyl-N-methylbut-3-en-2-amine is C=C(SCC)C(C)NC.
What is the InChIKey of 3-ethylsulfanyl-N-methylbut-3-en-2-amine?
The InChIKey is FVQXAIOVEOLYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-5-9-7(3)6(2)8-4/h6,8H,3,5H2,1-2,4H3.
What are the key properties of 3-ethylsulfanyl-N-methylbut-3-en-2-amine?
3-ethylsulfanyl-N-methylbut-3-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-methylbut-3-en-2-amine is sourced from PubChem (CID 163566512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).