1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one

C12H23NO3S — CID 116578935

IUPAC1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
SMILESCS(=O)(=O)CCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)9-5-6-11(14)10-12(13)7-3-2-4-8-12/h2-10,13H2,1H3
InChIKeyUZEWHAXAAYXXDR-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.43
Rot. Bonds6

About 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one

1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one (PubChem CID 116578935) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
PubChem CID116578935
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
SMILESCS(=O)(=O)CCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)9-5-6-11(14)10-12(13)7-3-2-4-8-12/h2-10,13H2,1H3
InChIKeyUZEWHAXAAYXXDR-UHFFFAOYSA-N
XLogP1.43
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
1-(1-aminocyclopentyl)-6-methylheptan-2-one
CID 116578739
1-(1-aminocyclohexyl)hept-6-en-2-one
CID 116579053
1-(1-aminocyclohexyl)non-8-en-2-one
CID 107010892
1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one
CID 116550603
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
CID 79858912
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]butanoate
CID 61457714
2-(1-aminocyclopentyl)-N-[dimethyl(oxo)-λ6-sulfanylidene]acetamide
CID 130582026
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
1-cyclohexyl-6-methylsulfonylhexan-3-one
CID 114965014

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one (CID 116578935) is 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one is CS(=O)(=O)CCCC(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one?
The InChIKey is UZEWHAXAAYXXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-17(15,16)9-5-6-11(14)10-12(13)7-3-2-4-8-12/h2-10,13H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one?
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one has a molecular weight of 261.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one is sourced from PubChem (CID 116578935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).