1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine

C9H23NOS — CID 156570734

IUPAC1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine
SMILESCCOC(C)N(C)CS(C)(C)C
InChIInChI=1S/C9H23NOS/c1-7-11-9(2)10(3)8-12(4,5)6/h9H,7-8H2,1-6H3
InChIKeyXLRHVESENHUKHL-UHFFFAOYSA-N
MW193.36 g/mol
LogP1.95
Rot. Bonds5

About 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine

1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine (PubChem CID 156570734) has the molecular formula C9H23NOS and a molecular weight of 193.36 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine.

Molecular Properties

Compound Name1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine
PubChem CID156570734
Molecular FormulaC9H23NOS
Molecular Weight193.36 g/mol
Exact Mass193.15
IUPAC Name1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine
SMILESCCOC(C)N(C)CS(C)(C)C
InChIInChI=1S/C9H23NOS/c1-7-11-9(2)10(3)8-12(4,5)6/h9H,7-8H2,1-6H3
InChIKeyXLRHVESENHUKHL-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine 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

N-(1-ethoxyethyl)-N-methylformamide
CID 87133135
N-(1-ethoxyethyl)-N-ethylhydroxylamine
CID 19893007
1,1-diethoxyethane
CID 7765
N-butyl-N-(1-ethoxyethyl)hydroxylamine
CID 21400500
N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
CID 63619021
N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine
CID 87357769
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
2-ethoxypropane;zinc
CID 174321747
4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine
CID 173014058
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
[ethoxy(methoxy)methoxy]ethane
CID 20564684

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine?
The IUPAC name of 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine (CID 156570734) is 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine.
What is the SMILES notation for 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine?
The canonical SMILES for 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine is CCOC(C)N(C)CS(C)(C)C.
What is the InChIKey of 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine?
The InChIKey is XLRHVESENHUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NOS/c1-7-11-9(2)10(3)8-12(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine?
1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine has a molecular weight of 193.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine is sourced from PubChem (CID 156570734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).