3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one

C14H26N2O2S — CID 71988465

IUPAC3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCSC1CCCC1N(C)CCC(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O2S/c1-15(12-4-3-5-13(12)19-2)7-6-14(17)16-8-10-18-11-9-16/h12-13H,3-11H2,1-2H3
InChIKeyOOCBMNKWPYPHHR-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.45
Rot. Bonds5

About 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one

3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 71988465) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID71988465
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCSC1CCCC1N(C)CCC(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O2S/c1-15(12-4-3-5-13(12)19-2)7-6-14(17)16-8-10-18-11-9-16/h12-13H,3-11H2,1-2H3
InChIKeyOOCBMNKWPYPHHR-UHFFFAOYSA-N
XLogP1.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone
CID 124725492
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
4-[cyclobutyl(3-hydroxypropyl)amino]-1-morpholin-4-ylbutan-1-one
CID 102858461
3-[methyl-(2-methylsulfonylcyclohexyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981947
2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
CID 78815658
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42556966
1-[4-[[3-(azetidin-1-yl)-3-oxopropyl]-methylamino]piperidin-1-yl]-3-methylbut-3-en-1-one
CID 145317118
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587516

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one (CID 71988465) is 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one is CSC1CCCC1N(C)CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is OOCBMNKWPYPHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-15(12-4-3-5-13(12)19-2)7-6-14(17)16-8-10-18-11-9-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 286.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71988465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).