1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine

C10H21NO3S — CID 105008079

IUPAC1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)C1CCCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-14-8-9(11-2)10-6-4-5-7-15(10,12)13/h9-11H,3-8H2,1-2H3
InChIKeyBQVQTVRTDVKBQS-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.58
Rot. Bonds5

About 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine

1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine (PubChem CID 105008079) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine
PubChem CID105008079
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)C1CCCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-14-8-9(11-2)10-6-4-5-7-15(10,12)13/h9-11H,3-8H2,1-2H3
InChIKeyBQVQTVRTDVKBQS-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine 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

[1-(1,1-dioxothian-2-yl)-2-ethoxyethyl]hydrazine
CID 105321290
[1-(1,1-dioxothian-2-yl)-2-propoxyethyl]hydrazine
CID 105321488
1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine
CID 115831653
1-(1,1-dioxothian-2-yl)-N-methylbut-3-yn-1-amine
CID 114977650
1-(1,1-dioxothian-2-yl)-N-methylpent-4-yn-1-amine
CID 115859440
1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine
CID 105007901
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115865007
2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 104519891
1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol
CID 115823354
1-(1,1-dioxothian-2-yl)-N-ethyloctan-1-amine
CID 115832238
1-(1,1-dioxothian-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853689
N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 114981214

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine?
The IUPAC name of 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine (CID 105008079) is 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine is CCOCC(NC)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine?
The InChIKey is BQVQTVRTDVKBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-14-8-9(11-2)10-6-4-5-7-15(10,12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine?
1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine has a molecular weight of 235.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 105008079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).