1-morpholin-4-yl-5-sulfanylpentan-1-one

C9H17NO2S — CID 54236383

IUPAC1-morpholin-4-yl-5-sulfanylpentan-1-one
SMILESO=C(CCCCS)N1CCOCC1
InChIInChI=1S/C9H17NO2S/c11-9(3-1-2-8-13)10-4-6-12-7-5-10/h13H,1-8H2
InChIKeyQMWLHHGMKVGYKG-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.95
Rot. Bonds4

About 1-morpholin-4-yl-5-sulfanylpentan-1-one

1-morpholin-4-yl-5-sulfanylpentan-1-one (PubChem CID 54236383) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-5-sulfanylpentan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-5-sulfanylpentan-1-one
PubChem CID54236383
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-morpholin-4-yl-5-sulfanylpentan-1-one
SMILESO=C(CCCCS)N1CCOCC1
InChIInChI=1S/C9H17NO2S/c11-9(3-1-2-8-13)10-4-6-12-7-5-10/h13H,1-8H2
InChIKeyQMWLHHGMKVGYKG-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-5-sulfanylpentan-1-one?
The IUPAC name of 1-morpholin-4-yl-5-sulfanylpentan-1-one (CID 54236383) is 1-morpholin-4-yl-5-sulfanylpentan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-5-sulfanylpentan-1-one?
The canonical SMILES for 1-morpholin-4-yl-5-sulfanylpentan-1-one is O=C(CCCCS)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-5-sulfanylpentan-1-one?
The InChIKey is QMWLHHGMKVGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-9(3-1-2-8-13)10-4-6-12-7-5-10/h13H,1-8H2.
What are the key properties of 1-morpholin-4-yl-5-sulfanylpentan-1-one?
1-morpholin-4-yl-5-sulfanylpentan-1-one has a molecular weight of 203.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-5-sulfanylpentan-1-one is sourced from PubChem (CID 54236383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).