N,N-dimethyl-2-methylsulfanyloxyethanamine

C5H13NOS — CID 129092985

IUPACN,N-dimethyl-2-methylsulfanyloxyethanamine
SMILESCSOCCN(C)C
InChIInChI=1S/C5H13NOS/c1-6(2)4-5-7-8-3/h4-5H2,1-3H3
InChIKeyYBZVWRUTHQSPTJ-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.84
Rot. Bonds4

About N,N-dimethyl-2-methylsulfanyloxyethanamine

N,N-dimethyl-2-methylsulfanyloxyethanamine (PubChem CID 129092985) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanyloxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanyloxyethanamine
PubChem CID129092985
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN,N-dimethyl-2-methylsulfanyloxyethanamine
SMILESCSOCCN(C)C
InChIInChI=1S/C5H13NOS/c1-6(2)4-5-7-8-3/h4-5H2,1-3H3
InChIKeyYBZVWRUTHQSPTJ-UHFFFAOYSA-N
XLogP0.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanyloxyethanamine?
The IUPAC name of N,N-dimethyl-2-methylsulfanyloxyethanamine (CID 129092985) is N,N-dimethyl-2-methylsulfanyloxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanyloxyethanamine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanyloxyethanamine is CSOCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanyloxyethanamine?
The InChIKey is YBZVWRUTHQSPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-6(2)4-5-7-8-3/h4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanyloxyethanamine?
N,N-dimethyl-2-methylsulfanyloxyethanamine has a molecular weight of 135.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanyloxyethanamine is sourced from PubChem (CID 129092985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).