imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane

C8H18N2O2S — CID 176694081

IUPACimino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CCC1CN(C)CCO1
InChIInChI=1S/C8H18N2O2S/c1-10-4-5-12-8(7-10)3-6-13(2,9)11/h8-9H,3-7H2,1-2H3
InChIKeyLQSBDFAQMACUDQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.38
Rot. Bonds3

About imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane

imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane (PubChem CID 176694081) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane
PubChem CID176694081
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Nameimino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CCC1CN(C)CCO1
InChIInChI=1S/C8H18N2O2S/c1-10-4-5-12-8(7-10)3-6-13(2,9)11/h8-9H,3-7H2,1-2H3
InChIKeyLQSBDFAQMACUDQ-UHFFFAOYSA-N
XLogP0.38
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane (CID 176694081) is imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane is [H]N=S(C)(=O)CCC1CN(C)CCO1.
What is the InChIKey of imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane?
The InChIKey is LQSBDFAQMACUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10-4-5-12-8(7-10)3-6-13(2,9)11/h8-9H,3-7H2,1-2H3.
What are the key properties of imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane?
imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane has a molecular weight of 206.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane is sourced from PubChem (CID 176694081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).