N,N-dimethyl-2-methylsulfanylethynamine

C5H9NS — CID 100928244

IUPACN,N-dimethyl-2-methylsulfanylethynamine
SMILESCSC#CN(C)C
InChIInChI=1S/C5H9NS/c1-6(2)4-5-7-3/h1-3H3
InChIKeyXLQRAMQBTSCOEF-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.83
Rot. Bonds

About N,N-dimethyl-2-methylsulfanylethynamine

N,N-dimethyl-2-methylsulfanylethynamine (PubChem CID 100928244) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanylethynamine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanylethynamine
PubChem CID100928244
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN,N-dimethyl-2-methylsulfanylethynamine
SMILESCSC#CN(C)C
InChIInChI=1S/C5H9NS/c1-6(2)4-5-7-3/h1-3H3
InChIKeyXLQRAMQBTSCOEF-UHFFFAOYSA-N
XLogP0.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.83
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanylethynamine?
The IUPAC name of N,N-dimethyl-2-methylsulfanylethynamine (CID 100928244) is N,N-dimethyl-2-methylsulfanylethynamine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanylethynamine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanylethynamine is CSC#CN(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanylethynamine?
The InChIKey is XLQRAMQBTSCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-6(2)4-5-7-3/h1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanylethynamine?
N,N-dimethyl-2-methylsulfanylethynamine has a molecular weight of 115.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanylethynamine is sourced from PubChem (CID 100928244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).