2,2-diethyl-5-methylmorpholine-3-thione

C9H17NOS — CID 3052684

IUPAC2,2-diethyl-5-methylmorpholine-3-thione
SMILESCCC1(CC)OCC(C)NC1=S
InChIInChI=1S/C9H17NOS/c1-4-9(5-2)8(12)10-7(3)6-11-9/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyGBKXCITYVPFWCH-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.88
Rot. Bonds2

About 2,2-diethyl-5-methylmorpholine-3-thione

2,2-diethyl-5-methylmorpholine-3-thione (PubChem CID 3052684) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2,2-diethyl-5-methylmorpholine-3-thione.

Molecular Properties

Compound Name2,2-diethyl-5-methylmorpholine-3-thione
PubChem CID3052684
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2,2-diethyl-5-methylmorpholine-3-thione
SMILESCCC1(CC)OCC(C)NC1=S
InChIInChI=1S/C9H17NOS/c1-4-9(5-2)8(12)10-7(3)6-11-9/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyGBKXCITYVPFWCH-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-tert-butyl-2-ethyl-5-methyloxolane
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2,3-dimethyl-2-propyloxetane
CID 89191195
2-ethyl-2,5-dimethyl-1,3-oxazinane
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4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
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(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
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4-(2,2-diethyloxan-4-yl)-1H-1,2,4-triazole-5-thione
CID 83029328

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methylmorpholine-3-thione?
The IUPAC name of 2,2-diethyl-5-methylmorpholine-3-thione (CID 3052684) is 2,2-diethyl-5-methylmorpholine-3-thione.
What is the SMILES notation for 2,2-diethyl-5-methylmorpholine-3-thione?
The canonical SMILES for 2,2-diethyl-5-methylmorpholine-3-thione is CCC1(CC)OCC(C)NC1=S.
What is the InChIKey of 2,2-diethyl-5-methylmorpholine-3-thione?
The InChIKey is GBKXCITYVPFWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-4-9(5-2)8(12)10-7(3)6-11-9/h7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 2,2-diethyl-5-methylmorpholine-3-thione?
2,2-diethyl-5-methylmorpholine-3-thione has a molecular weight of 187.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methylmorpholine-3-thione is sourced from PubChem (CID 3052684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).