3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one

C10H17NO2S — CID 130450263

IUPAC3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one
SMILESCC(C)(C)C(=O)C(=S)N1CCOCC1
InChIInChI=1S/C10H17NO2S/c1-10(2,3)8(12)9(14)11-4-6-13-7-5-11/h4-7H2,1-3H3
InChIKeyLQNFSNLEWOZHTF-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.26
Rot. Bonds1

About 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one

3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one (PubChem CID 130450263) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one
PubChem CID130450263
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one
SMILESCC(C)(C)C(=O)C(=S)N1CCOCC1
InChIInChI=1S/C10H17NO2S/c1-10(2,3)8(12)9(14)11-4-6-13-7-5-11/h4-7H2,1-3H3
InChIKeyLQNFSNLEWOZHTF-UHFFFAOYSA-N
XLogP1.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
ethane;2-methyl-2-(methylamino)-1-morpholin-4-ylpropan-1-one
CID 168940917
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
methyl morpholine-4-carboxylate
CID 12575354
2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one
CID 71319313
tert-butyl N-(morpholine-4-carbothioyl)carbamate
CID 24894287
ethane;1-morpholin-4-ylethanethione
CID 142226083
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
4-morpholin-4-yl-4-sulfanylidenebutan-2-one
CID 126484570
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one?
The IUPAC name of 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one (CID 130450263) is 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one?
The canonical SMILES for 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one is CC(C)(C)C(=O)C(=S)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one?
The InChIKey is LQNFSNLEWOZHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-10(2,3)8(12)9(14)11-4-6-13-7-5-11/h4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one?
3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one is sourced from PubChem (CID 130450263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).