N-ethyl-N-methyl-2-methylsulfanylethenamine

C6H13NS — CID 123970324

IUPACN-ethyl-N-methyl-2-methylsulfanylethenamine
SMILESCCN(C)C=CSC
InChIInChI=1S/C6H13NS/c1-4-7(2)5-6-8-3/h5-6H,4H2,1-3H3
InChIKeyKPJWVEQXKZDJTI-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.77
Rot. Bonds3

About N-ethyl-N-methyl-2-methylsulfanylethenamine

N-ethyl-N-methyl-2-methylsulfanylethenamine (PubChem CID 123970324) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-methylsulfanylethenamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-methylsulfanylethenamine
PubChem CID123970324
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-ethyl-N-methyl-2-methylsulfanylethenamine
SMILESCCN(C)C=CSC
InChIInChI=1S/C6H13NS/c1-4-7(2)5-6-8-3/h5-6H,4H2,1-3H3
InChIKeyKPJWVEQXKZDJTI-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-methylsulfanylethenamine?
The IUPAC name of N-ethyl-N-methyl-2-methylsulfanylethenamine (CID 123970324) is N-ethyl-N-methyl-2-methylsulfanylethenamine.
What is the SMILES notation for N-ethyl-N-methyl-2-methylsulfanylethenamine?
The canonical SMILES for N-ethyl-N-methyl-2-methylsulfanylethenamine is CCN(C)C=CSC.
What is the InChIKey of N-ethyl-N-methyl-2-methylsulfanylethenamine?
The InChIKey is KPJWVEQXKZDJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-7(2)5-6-8-3/h5-6H,4H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-methylsulfanylethenamine?
N-ethyl-N-methyl-2-methylsulfanylethenamine has a molecular weight of 131.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-methylsulfanylethenamine is sourced from PubChem (CID 123970324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).