(E)-2-ethylsulfanyl-N,N-dimethylethenamine

C6H13NS — CID 23264363

IUPAC(E)-2-ethylsulfanyl-N,N-dimethylethenamine
SMILESCCS/C=C/N(C)C
InChIInChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyXEMLJNLYCNPYIU-AATRIKPKSA-N
MW131.24 g/mol
LogP1.77
Rot. Bonds3

About (E)-2-ethylsulfanyl-N,N-dimethylethenamine

(E)-2-ethylsulfanyl-N,N-dimethylethenamine (PubChem CID 23264363) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (E)-2-ethylsulfanyl-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-ethylsulfanyl-N,N-dimethylethenamine
PubChem CID23264363
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(E)-2-ethylsulfanyl-N,N-dimethylethenamine
SMILESCCS/C=C/N(C)C
InChIInChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyXEMLJNLYCNPYIU-AATRIKPKSA-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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Related Compounds

3-Methyl-thiazole
CID 15407522
N,N-Dimethyl-3-(methylsulfanyl)prop-1-en-1-amine
CID 71325923
3-Methyl-1,2-didehydro-1,3-thiazole
CID 101146457
CID 164679965
CID 164679965
Ethanamine, 2-(ethenylthio)-N,N-dimethyl-
CID 4652887
3-ethyl-2H-1,3-thiazole
CID 18381193
3-ethyl-2-methyl-2H-1,3-thiazole
CID 19366383
4-Methyl-2,3-dihydro-1,4-thiazine
CID 20497619
4-Methyl-1,4-thiazine
CID 21356955
2-methyl-3-propyl-2H-1,3-thiazole
CID 22419292
1-ethenylsulfanyl-N,N-dimethylethanamine
CID 22465143
2,3-dimethyl-2H-1,3-thiazole
CID 23182463

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethylsulfanyl-N,N-dimethylethenamine?
The IUPAC name of (E)-2-ethylsulfanyl-N,N-dimethylethenamine (CID 23264363) is (E)-2-ethylsulfanyl-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-ethylsulfanyl-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-ethylsulfanyl-N,N-dimethylethenamine is CCS/C=C/N(C)C.
What is the InChIKey of (E)-2-ethylsulfanyl-N,N-dimethylethenamine?
The InChIKey is XEMLJNLYCNPYIU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-ethylsulfanyl-N,N-dimethylethenamine?
(E)-2-ethylsulfanyl-N,N-dimethylethenamine 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 (E)-2-ethylsulfanyl-N,N-dimethylethenamine is sourced from PubChem (CID 23264363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).