1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one

C15H27NO2S — CID 45207278

IUPAC1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C15H27NO2S/c1-19-10-7-15(17)16-8-9-18-14(12-16)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyYGCPOWLAGHCCKK-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.94
Rot. Bonds5

About 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one

1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one (PubChem CID 45207278) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
PubChem CID45207278
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C15H27NO2S/c1-19-10-7-15(17)16-8-9-18-14(12-16)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyYGCPOWLAGHCCKK-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 26405708
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42293003
[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 45197657
ethyl 3-[[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]amino]propanoate
CID 26392962
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 95445095
1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 25386011
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 43183413
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95556090
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one (CID 45207278) is 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one is CSCCC(=O)N1CCOC(CC2CCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is YGCPOWLAGHCCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-19-10-7-15(17)16-8-9-18-14(12-16)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one?
1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 285.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 45207278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).