1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one

C14H21NO2S — CID 159482054

IUPAC1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one
SMILESCc1cc(C(=O)CCCCN2CCOCC2)cs1
InChIInChI=1S/C14H21NO2S/c1-12-10-13(11-18-12)14(16)4-2-3-5-15-6-8-17-9-7-15/h10-11H,2-9H2,1H3
InChIKeyDCLVCYYBIFDYNI-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds6

About 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one

1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one (PubChem CID 159482054) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one
PubChem CID159482054
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one
SMILESCc1cc(C(=O)CCCCN2CCOCC2)cs1
InChIInChI=1S/C14H21NO2S/c1-12-10-13(11-18-12)14(16)4-2-3-5-15-6-8-17-9-7-15/h10-11H,2-9H2,1H3
InChIKeyDCLVCYYBIFDYNI-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
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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Related Compounds

1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
1-(3,5-dimethylphenyl)-6-piperidin-1-ylhexan-1-one
CID 54177221
2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
CID 79065462
4-[3-(4-methylthiophen-2-yl)propyl]morpholine
CID 170871201
1-[1-methyl-4-[2-[1-methyl-4-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-4-morpholin-4-ylbutan-1-one
CID 58357311
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
N-methyl-7-morpholin-4-ylheptanamide
CID 176680363
1-(3-ethylphenyl)-3-morpholin-4-ylpropan-1-one
CID 70850714
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one?
The IUPAC name of 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one (CID 159482054) is 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one is Cc1cc(C(=O)CCCCN2CCOCC2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one?
The InChIKey is DCLVCYYBIFDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-10-13(11-18-12)14(16)4-2-3-5-15-6-8-17-9-7-15/h10-11H,2-9H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one?
1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one has a molecular weight of 267.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-5-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 159482054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).