ethane;4-methylsulfanylmorpholine

C7H17NOS — CID 143553073

IUPACethane;4-methylsulfanylmorpholine
SMILESCC.CSN1CCOCC1
InChIInChI=1S/C5H11NOS.C2H6/c1-8-6-2-4-7-5-3-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyPOQJUMOKNSVOTC-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.62
Rot. Bonds1

About ethane;4-methylsulfanylmorpholine

ethane;4-methylsulfanylmorpholine (PubChem CID 143553073) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is ethane;4-methylsulfanylmorpholine.

Molecular Properties

Compound Nameethane;4-methylsulfanylmorpholine
PubChem CID143553073
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Nameethane;4-methylsulfanylmorpholine
SMILESCC.CSN1CCOCC1
InChIInChI=1S/C5H11NOS.C2H6/c1-8-6-2-4-7-5-3-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyPOQJUMOKNSVOTC-UHFFFAOYSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-ethylsulfanylmorpholine
CID 177159811
morpholin-4-yl thiohypofluorite
CID 139893676
ethane;4-methylmorpholine
CID 54432133
4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine
CID 138710928
4-(thiomorpholin-4-yldisulfanyl)morpholine
CID 59107578
2-methyl-2-morpholin-4-ylsulfanylpropanal
CID 15570456
4-pentylsulfanylmorpholine
CID 134928902
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
dihydroxy-morpholin-4-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 57206002
4-(2-methylsulfanylethynyl)morpholine
CID 134875965
methyl morpholine-4-carbodithioate
CID 5043631
4-cyclopropylmorpholine;ethane
CID 155594914

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylsulfanylmorpholine?
The IUPAC name of ethane;4-methylsulfanylmorpholine (CID 143553073) is ethane;4-methylsulfanylmorpholine.
What is the SMILES notation for ethane;4-methylsulfanylmorpholine?
The canonical SMILES for ethane;4-methylsulfanylmorpholine is CC.CSN1CCOCC1.
What is the InChIKey of ethane;4-methylsulfanylmorpholine?
The InChIKey is POQJUMOKNSVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.C2H6/c1-8-6-2-4-7-5-3-6;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methylsulfanylmorpholine?
ethane;4-methylsulfanylmorpholine has a molecular weight of 163.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylsulfanylmorpholine is sourced from PubChem (CID 143553073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).