ethane;4-ethylsulfanylmorpholine

C8H19NOS — CID 177159811

IUPACethane;4-ethylsulfanylmorpholine
SMILESCC.CCSN1CCOCC1
InChIInChI=1S/C6H13NOS.C2H6/c1-2-9-7-3-5-8-6-4-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyXOUTVNSTFWLRPD-UHFFFAOYSA-N
MW177.31 g/mol
LogP2.01
Rot. Bonds2

About ethane;4-ethylsulfanylmorpholine

ethane;4-ethylsulfanylmorpholine (PubChem CID 177159811) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;4-ethylsulfanylmorpholine.

Molecular Properties

Compound Nameethane;4-ethylsulfanylmorpholine
PubChem CID177159811
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;4-ethylsulfanylmorpholine
SMILESCC.CCSN1CCOCC1
InChIInChI=1S/C6H13NOS.C2H6/c1-2-9-7-3-5-8-6-4-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyXOUTVNSTFWLRPD-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 52.01
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

4-pentylsulfanylmorpholine
CID 134928902
ethane;4-methylsulfanylmorpholine
CID 143553073
4-prop-2-enylsulfanylmorpholine
CID 134892146
ethane;4-propylmorpholine
CID 143004992
morpholin-4-yl thiohypofluorite
CID 139893676
ethane;4-methylmorpholine
CID 54432133
astatane;4-ethylmorpholine
CID 174883073
butane;bis(4-methylmorpholine)
CID 159010392
4-ethylmorpholine;hydron
CID 174383624
4-hydroxymorpholine;propane
CID 23208796
4-hex-1-ynylsulfanylmorpholine
CID 11521268
ethane;4-prop-2-ynylmorpholine
CID 144709407

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylsulfanylmorpholine?
The IUPAC name of ethane;4-ethylsulfanylmorpholine (CID 177159811) is ethane;4-ethylsulfanylmorpholine.
What is the SMILES notation for ethane;4-ethylsulfanylmorpholine?
The canonical SMILES for ethane;4-ethylsulfanylmorpholine is CC.CCSN1CCOCC1.
What is the InChIKey of ethane;4-ethylsulfanylmorpholine?
The InChIKey is XOUTVNSTFWLRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C2H6/c1-2-9-7-3-5-8-6-4-7;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;4-ethylsulfanylmorpholine?
ethane;4-ethylsulfanylmorpholine has a molecular weight of 177.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylsulfanylmorpholine is sourced from PubChem (CID 177159811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).