2-ethylsulfanyl-N,N-dimethylethynamine

C6H11NS — CID 131876915

IUPAC2-ethylsulfanyl-N,N-dimethylethynamine
SMILESCCSC#CN(C)C
InChIInChI=1S/C6H11NS/c1-4-8-6-5-7(2)3/h4H2,1-3H3
InChIKeyZNSPMWRMSUZPMC-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.22
Rot. Bonds1

About 2-ethylsulfanyl-N,N-dimethylethynamine

2-ethylsulfanyl-N,N-dimethylethynamine (PubChem CID 131876915) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-ethylsulfanyl-N,N-dimethylethynamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N,N-dimethylethynamine
PubChem CID131876915
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-ethylsulfanyl-N,N-dimethylethynamine
SMILESCCSC#CN(C)C
InChIInChI=1S/C6H11NS/c1-4-8-6-5-7(2)3/h4H2,1-3H3
InChIKeyZNSPMWRMSUZPMC-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-ethylsulfanyl-N,N-dimethylethynamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl(2-(methylsulfanyl)ethyl)amine
CID 2780370
1-ethylsulfanyl-N,N-dimethylmethanamine
CID 296582
Diethyl(ethylsulfanylethynyl)-amine
CID 12375710
N,N-dimethyl-2-methylsulfanylethynamine
CID 100928244
N,N-dimethyl-2-propan-2-ylsulfanylethynamine
CID 134921069
2-butylsulfanyl-N,N-dimethylethynamine
CID 134987721
Trimethyl(2-methylsulfanylethyl)azanium
CID 13028499
Ethanamine, 2-(ethylthio)-N,N-dimethyl-
CID 13028504
N,N-dimethyl-1-methylsulfanylbut-2-yn-1-amine
CID 23397688
N-ethyl-N-methyl-2-methylsulfanylethanamine
CID 59155211
2-ethylsulfanyl-N,N-dimethylethanamine;rutherfordium
CID 59870360
N-(ethylsulfanylmethyl)-N-methylethanamine
CID 90896034

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N,N-dimethylethynamine?
The IUPAC name of 2-ethylsulfanyl-N,N-dimethylethynamine (CID 131876915) is 2-ethylsulfanyl-N,N-dimethylethynamine.
What is the SMILES notation for 2-ethylsulfanyl-N,N-dimethylethynamine?
The canonical SMILES for 2-ethylsulfanyl-N,N-dimethylethynamine is CCSC#CN(C)C.
What is the InChIKey of 2-ethylsulfanyl-N,N-dimethylethynamine?
The InChIKey is ZNSPMWRMSUZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-8-6-5-7(2)3/h4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N,N-dimethylethynamine?
2-ethylsulfanyl-N,N-dimethylethynamine has a molecular weight of 129.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N,N-dimethylethynamine is sourced from PubChem (CID 131876915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).