(E)-N-methyl-2-methylsulfanylprop-1-en-1-amine

C5H11NS — CID 142151458

IUPAC(E)-N-methyl-2-methylsulfanylprop-1-en-1-amine
SMILESCN/C=C(\C)SC
InChIInChI=1S/C5H11NS/c1-5(7-3)4-6-2/h4,6H,1-3H3/b5-4+
InChIKeyOXZDUCZRUXCRNL-SNAWJCMRSA-N
MW117.22 g/mol
LogP1.43
Rot. Bonds2

About (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine

(E)-N-methyl-2-methylsulfanylprop-1-en-1-amine (PubChem CID 142151458) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-2-methylsulfanylprop-1-en-1-amine
PubChem CID142151458
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(E)-N-methyl-2-methylsulfanylprop-1-en-1-amine
SMILESCN/C=C(\C)SC
InChIInChI=1S/C5H11NS/c1-5(7-3)4-6-2/h4,6H,1-3H3/b5-4+
InChIKeyOXZDUCZRUXCRNL-SNAWJCMRSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine?
The IUPAC name of (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine (CID 142151458) is (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine is CN/C=C(\C)SC.
What is the InChIKey of (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine?
The InChIKey is OXZDUCZRUXCRNL-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11NS/c1-5(7-3)4-6-2/h4,6H,1-3H3/b5-4+.
What are the key properties of (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine?
(E)-N-methyl-2-methylsulfanylprop-1-en-1-amine has a molecular weight of 117.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-methylsulfanylprop-1-en-1-amine is sourced from PubChem (CID 142151458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).