1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine

C12H25NOS2 — CID 103346227

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CSC(C)C(C)S1
InChIInChI=1S/C12H25NOS2/c1-5-13-11(7-14-6-2)12-8-15-9(3)10(4)16-12/h9-13H,5-8H2,1-4H3
InChIKeyAWELOUTZSDBVMK-UHFFFAOYSA-N
MW263.47 g/mol
LogP2.63
Rot. Bonds6

About 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine

1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine (PubChem CID 103346227) has the molecular formula C12H25NOS2 and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine
PubChem CID103346227
Molecular FormulaC12H25NOS2
Molecular Weight263.47 g/mol
Exact Mass263.14
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CSC(C)C(C)S1
InChIInChI=1S/C12H25NOS2/c1-5-13-11(7-14-6-2)12-8-15-9(3)10(4)16-12/h9-13H,5-8H2,1-4H3
InChIKeyAWELOUTZSDBVMK-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(2,2-difluoroethoxy)ethyl]thian-4-amine
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N-(1,4-dithian-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
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3-(2-Methylsulfanylpropan-2-yl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine (CID 103346227) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine?
The InChIKey is AWELOUTZSDBVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS2/c1-5-13-11(7-14-6-2)12-8-15-9(3)10(4)16-12/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine?
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine has a molecular weight of 263.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 103346227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).