2-methyl-1-methylsulfanylprop-2-en-1-amine

C5H11NS — CID 123189623

IUPAC2-methyl-1-methylsulfanylprop-2-en-1-amine
SMILESC=C(C)C(N)SC
InChIInChI=1S/C5H11NS/c1-4(2)5(6)7-3/h5H,1,6H2,2-3H3
InChIKeyOLCKKGWDNLTJPJ-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-1-methylsulfanylprop-2-en-1-amine

2-methyl-1-methylsulfanylprop-2-en-1-amine (PubChem CID 123189623) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylprop-2-en-1-amine
PubChem CID123189623
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-methyl-1-methylsulfanylprop-2-en-1-amine
SMILESC=C(C)C(N)SC
InChIInChI=1S/C5H11NS/c1-4(2)5(6)7-3/h5H,1,6H2,2-3H3
InChIKeyOLCKKGWDNLTJPJ-UHFFFAOYSA-N
XLogP1.21
TPSA26.02 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-methylsulfanylprop-2-en-1-amine (CID 123189623) is 2-methyl-1-methylsulfanylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-methylsulfanylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-methylsulfanylprop-2-en-1-amine is C=C(C)C(N)SC.
What is the InChIKey of 2-methyl-1-methylsulfanylprop-2-en-1-amine?
The InChIKey is OLCKKGWDNLTJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4(2)5(6)7-3/h5H,1,6H2,2-3H3.
What are the key properties of 2-methyl-1-methylsulfanylprop-2-en-1-amine?
2-methyl-1-methylsulfanylprop-2-en-1-amine has a molecular weight of 117.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 123189623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).