2-(4-methoxythian-4-yl)-N-methylethanamine

C9H19NOS — CID 83907265

IUPAC2-(4-methoxythian-4-yl)-N-methylethanamine
SMILESCNCCC1(OC)CCSCC1
InChIInChI=1S/C9H19NOS/c1-10-6-3-9(11-2)4-7-12-8-5-9/h10H,3-8H2,1-2H3
InChIKeyNGDBSXISHDUYJN-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.51
Rot. Bonds4

About 2-(4-methoxythian-4-yl)-N-methylethanamine

2-(4-methoxythian-4-yl)-N-methylethanamine (PubChem CID 83907265) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(4-methoxythian-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxythian-4-yl)-N-methylethanamine
PubChem CID83907265
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(4-methoxythian-4-yl)-N-methylethanamine
SMILESCNCCC1(OC)CCSCC1
InChIInChI=1S/C9H19NOS/c1-10-6-3-9(11-2)4-7-12-8-5-9/h10H,3-8H2,1-2H3
InChIKeyNGDBSXISHDUYJN-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxythian-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-methoxythian-4-yl)-N-methylethanamine (CID 83907265) is 2-(4-methoxythian-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxythian-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-methoxythian-4-yl)-N-methylethanamine is CNCCC1(OC)CCSCC1.
What is the InChIKey of 2-(4-methoxythian-4-yl)-N-methylethanamine?
The InChIKey is NGDBSXISHDUYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-10-6-3-9(11-2)4-7-12-8-5-9/h10H,3-8H2,1-2H3.
What are the key properties of 2-(4-methoxythian-4-yl)-N-methylethanamine?
2-(4-methoxythian-4-yl)-N-methylethanamine has a molecular weight of 189.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxythian-4-yl)-N-methylethanamine is sourced from PubChem (CID 83907265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).