1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one

C10H19NO3S — CID 116550603

IUPAC1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-5-9(12)10(11)6-3-2-4-7-10/h2-8,11H2,1H3
InChIKeyWMJVGADMADTQFO-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.65
Rot. Bonds4

About 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one

1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one (PubChem CID 116550603) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one
PubChem CID116550603
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-5-9(12)10(11)6-3-2-4-7-10/h2-8,11H2,1H3
InChIKeyWMJVGADMADTQFO-UHFFFAOYSA-N
XLogP0.65
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclopentyl)-3-ethylsulfonylpropan-1-one
CID 106736251
3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-one
CID 79060141
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
1-(1-aminocyclopentyl)-4-methylpent-4-en-1-one
CID 114477891
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935
1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one
CID 116550612
1-(3-methylpyrrolidin-3-yl)-3-methylsulfonylpropan-1-one
CID 116570102
1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
1-amino-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307202
1-(1-aminocyclopentyl)-2-methoxyethanone
CID 116558746
1-(1-aminocyclobutyl)octan-1-one
CID 116598372
1-(1-aminocyclohexyl)pent-3-yn-1-one
CID 116550433

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one (CID 116550603) is 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one is CS(=O)(=O)CCC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one?
The InChIKey is WMJVGADMADTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-15(13,14)8-5-9(12)10(11)6-3-2-4-7-10/h2-8,11H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one?
1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one has a molecular weight of 233.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 116550603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).