2-decylthiomorpholin-3-one

C14H27NOS — CID 71321236

IUPAC2-decylthiomorpholin-3-one
SMILESCCCCCCCCCCC1SCCNC1=O
InChIInChI=1S/C14H27NOS/c1-2-3-4-5-6-7-8-9-10-13-14(16)15-11-12-17-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyQKFCTAFQXHWNMT-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.75
Rot. Bonds9

About 2-decylthiomorpholin-3-one

2-decylthiomorpholin-3-one (PubChem CID 71321236) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-decylthiomorpholin-3-one.

Molecular Properties

Compound Name2-decylthiomorpholin-3-one
PubChem CID71321236
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-decylthiomorpholin-3-one
SMILESCCCCCCCCCCC1SCCNC1=O
InChIInChI=1S/C14H27NOS/c1-2-3-4-5-6-7-8-9-10-13-14(16)15-11-12-17-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyQKFCTAFQXHWNMT-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-propylthiomorpholin-3-one
CID 101264680
3-dodecylpiperidin-2-one
CID 67992079
ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
CID 145396418
(4S)-4-hexylpyrazolidin-3-one
CID 134877002
2-hexylthiomorpholine;hydrochloride
CID 175272280
2-hexyl-1,3-thiazolidin-4-one
CID 134090286
3-tridecan-7-ylpyrrolidin-2-one
CID 167077017
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
2-pentadecylcyclopropan-1-one
CID 70874004
3-undecylthiirane-2-thione
CID 174998073
2-nonylthietane
CID 21487379

Frequently Asked Questions

What is the IUPAC name of 2-decylthiomorpholin-3-one?
The IUPAC name of 2-decylthiomorpholin-3-one (CID 71321236) is 2-decylthiomorpholin-3-one.
What is the SMILES notation for 2-decylthiomorpholin-3-one?
The canonical SMILES for 2-decylthiomorpholin-3-one is CCCCCCCCCCC1SCCNC1=O.
What is the InChIKey of 2-decylthiomorpholin-3-one?
The InChIKey is QKFCTAFQXHWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-2-3-4-5-6-7-8-9-10-13-14(16)15-11-12-17-13/h13H,2-12H2,1H3,(H,15,16).
What are the key properties of 2-decylthiomorpholin-3-one?
2-decylthiomorpholin-3-one has a molecular weight of 257.44 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylthiomorpholin-3-one is sourced from PubChem (CID 71321236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).