(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine

C7H15NS — CID 143258861

IUPAC(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine
SMILESC/C=C(/CNC)SCC
InChIInChI=1S/C7H15NS/c1-4-7(6-8-3)9-5-2/h4,8H,5-6H2,1-3H3/b7-4-
InChIKeyONNPSBCDFJWWIU-DAXSKMNVSA-N
MW145.27 g/mol
LogP1.86
Rot. Bonds4

About (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine

(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine (PubChem CID 143258861) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine
PubChem CID143258861
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine
SMILESC/C=C(/CNC)SCC
InChIInChI=1S/C7H15NS/c1-4-7(6-8-3)9-5-2/h4,8H,5-6H2,1-3H3/b7-4-
InChIKeyONNPSBCDFJWWIU-DAXSKMNVSA-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 (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine (CID 143258861) is (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine is C/C=C(/CNC)SCC.
What is the InChIKey of (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine?
The InChIKey is ONNPSBCDFJWWIU-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-7(6-8-3)9-5-2/h4,8H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine?
(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-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 (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine is sourced from PubChem (CID 143258861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).