imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane

C5H12N2O2S — CID 14291409

IUPACimino-methyl-morpholin-4-yl-oxo-lambda6-sulfane
SMILES[H]N=S(C)(=O)N1CCOCC1
InChIInChI=1S/C5H12N2O2S/c1-10(6,8)7-2-4-9-5-3-7/h6H,2-5H2,1H3
InChIKeyLFPNSTGCIOXTFR-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.09
Rot. Bonds1

About imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane

imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane (PubChem CID 14291409) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane.

Molecular Properties

Compound Nameimino-methyl-morpholin-4-yl-oxo-lambda6-sulfane
PubChem CID14291409
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Nameimino-methyl-morpholin-4-yl-oxo-lambda6-sulfane
SMILES[H]N=S(C)(=O)N1CCOCC1
InChIInChI=1S/C5H12N2O2S/c1-10(6,8)7-2-4-9-5-3-7/h6H,2-5H2,1H3
InChIKeyLFPNSTGCIOXTFR-UHFFFAOYSA-N
XLogP-0.09
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane?
The IUPAC name of imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane (CID 14291409) is imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane.
What is the SMILES notation for imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane?
The canonical SMILES for imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane is [H]N=S(C)(=O)N1CCOCC1.
What is the InChIKey of imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane?
The InChIKey is LFPNSTGCIOXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(6,8)7-2-4-9-5-3-7/h6H,2-5H2,1H3.
What are the key properties of imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane?
imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane has a molecular weight of 164.23 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-morpholin-4-yl-oxo-lambda6-sulfane is sourced from PubChem (CID 14291409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).