1-morpholin-4-yl-11-sulfanylundecan-1-one

C15H29NO2S — CID 162406080

IUPAC1-morpholin-4-yl-11-sulfanylundecan-1-one
SMILESO=C(CCCCCCCCCCS)N1CCOCC1
InChIInChI=1S/C15H29NO2S/c17-15(16-10-12-18-13-11-16)9-7-5-3-1-2-4-6-8-14-19/h19H,1-14H2
InChIKeyWCFXXBNHMAXLQK-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.29
Rot. Bonds10

About 1-morpholin-4-yl-11-sulfanylundecan-1-one

1-morpholin-4-yl-11-sulfanylundecan-1-one (PubChem CID 162406080) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-11-sulfanylundecan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-11-sulfanylundecan-1-one
PubChem CID162406080
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name1-morpholin-4-yl-11-sulfanylundecan-1-one
SMILESO=C(CCCCCCCCCCS)N1CCOCC1
InChIInChI=1S/C15H29NO2S/c17-15(16-10-12-18-13-11-16)9-7-5-3-1-2-4-6-8-14-19/h19H,1-14H2
InChIKeyWCFXXBNHMAXLQK-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-Decanoylmorpholine
CID 94801
N-Octanoylmorpholine
CID 94795
N-Myristoylmorpholine
CID 94792
Morpholine, 4-tridecanoyl-
CID 294274
4-Nonanoylmorpholine
CID 79182
1-(Morpholin-4-yl)hexadecan-1-one
CID 220414
1-(4-Morpholinyl)-1-dodecanone
CID 94793
1-(4-Morpholinyl)-1-undecanone
CID 98730
1-(2,6-Dimethylmorpholin-4-yl)nonan-1-one
CID 98719
4-Heptanoylmorpholine
CID 99197
Morpholine, 4-(1-oxooctadecyl)-
CID 9924707
2-Fluoro-1-morpholinononan-1-one
CID 135391113

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-11-sulfanylundecan-1-one?
The IUPAC name of 1-morpholin-4-yl-11-sulfanylundecan-1-one (CID 162406080) is 1-morpholin-4-yl-11-sulfanylundecan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-11-sulfanylundecan-1-one?
The canonical SMILES for 1-morpholin-4-yl-11-sulfanylundecan-1-one is O=C(CCCCCCCCCCS)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-11-sulfanylundecan-1-one?
The InChIKey is WCFXXBNHMAXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c17-15(16-10-12-18-13-11-16)9-7-5-3-1-2-4-6-8-14-19/h19H,1-14H2.
What are the key properties of 1-morpholin-4-yl-11-sulfanylundecan-1-one?
1-morpholin-4-yl-11-sulfanylundecan-1-one has a molecular weight of 287.47 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-11-sulfanylundecan-1-one is sourced from PubChem (CID 162406080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).