2-morpholin-4-yl-6-pentylthiopyran-4-one

C14H21NO2S — CID 68792432

IUPAC2-morpholin-4-yl-6-pentylthiopyran-4-one
SMILESCCCCCc1cc(=O)cc(N2CCOCC2)s1
InChIInChI=1S/C14H21NO2S/c1-2-3-4-5-13-10-12(16)11-14(18-13)15-6-8-17-9-7-15/h10-11H,2-9H2,1H3
InChIKeyURHKYLZBAJUUQE-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.68
Rot. Bonds5

About 2-morpholin-4-yl-6-pentylthiopyran-4-one

2-morpholin-4-yl-6-pentylthiopyran-4-one (PubChem CID 68792432) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-pentylthiopyran-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-pentylthiopyran-4-one
PubChem CID68792432
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-morpholin-4-yl-6-pentylthiopyran-4-one
SMILESCCCCCc1cc(=O)cc(N2CCOCC2)s1
InChIInChI=1S/C14H21NO2S/c1-2-3-4-5-13-10-12(16)11-14(18-13)15-6-8-17-9-7-15/h10-11H,2-9H2,1H3
InChIKeyURHKYLZBAJUUQE-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-pentylthiopyran-4-one?
The IUPAC name of 2-morpholin-4-yl-6-pentylthiopyran-4-one (CID 68792432) is 2-morpholin-4-yl-6-pentylthiopyran-4-one.
What is the SMILES notation for 2-morpholin-4-yl-6-pentylthiopyran-4-one?
The canonical SMILES for 2-morpholin-4-yl-6-pentylthiopyran-4-one is CCCCCc1cc(=O)cc(N2CCOCC2)s1.
What is the InChIKey of 2-morpholin-4-yl-6-pentylthiopyran-4-one?
The InChIKey is URHKYLZBAJUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-3-4-5-13-10-12(16)11-14(18-13)15-6-8-17-9-7-15/h10-11H,2-9H2,1H3.
What are the key properties of 2-morpholin-4-yl-6-pentylthiopyran-4-one?
2-morpholin-4-yl-6-pentylthiopyran-4-one has a molecular weight of 267.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-pentylthiopyran-4-one is sourced from PubChem (CID 68792432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).