imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane

C6H14N2O2S — CID 176694413

IUPACimino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1COCCN1
InChIInChI=1S/C6H14N2O2S/c1-11(7,9)5-6-4-10-3-2-8-6/h6-8H,2-5H2,1H3
InChIKeyINZGEWXNPKNRID-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.35
Rot. Bonds2

About imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane

imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane (PubChem CID 176694413) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane
PubChem CID176694413
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Nameimino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1COCCN1
InChIInChI=1S/C6H14N2O2S/c1-11(7,9)5-6-4-10-3-2-8-6/h6-8H,2-5H2,1H3
InChIKeyINZGEWXNPKNRID-UHFFFAOYSA-N
XLogP-0.35
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfonylmethyl)morpholine
CID 84720172
dimethyl-(2-morpholin-3-ylethylimino)-oxo-λ6-sulfane
CID 130855725
3-(benzenesulfonylmethyl)morpholine
CID 117037196
3-(bromomethyl)morpholine
CID 70577689
3-(2-methylpropyl)morpholine
CID 20811826
1,1-difluoro-N-(morpholin-3-ylmethyl)methanesulfonamide
CID 103548837
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
CID 81465901
N-(morpholin-3-ylmethyl)cyclopentanesulfonamide
CID 103548835
ethane;(morpholin-3-ylmethylamino)methanone;yttrium
CID 153398938

Frequently Asked Questions

What is the IUPAC name of imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane (CID 176694413) is imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane is [H]N=S(C)(=O)CC1COCCN1.
What is the InChIKey of imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane?
The InChIKey is INZGEWXNPKNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11(7,9)5-6-4-10-3-2-8-6/h6-8H,2-5H2,1H3.
What are the key properties of imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane?
imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane has a molecular weight of 178.26 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane is sourced from PubChem (CID 176694413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).