5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid

C18H32N2O5S — CID 122056649

IUPAC5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
SMILESCS(=O)(=O)N1CCC(C(=O)NC(CCC(=O)O)CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O5S/c1-26(24,25)20-11-9-15(10-12-20)18(23)19-16(7-8-17(21)22)13-14-5-3-2-4-6-14/h14-16H,2-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyFXYYLYJXMFSNLI-UHFFFAOYSA-N
MW388.53 g/mol
LogP1.98
Rot. Bonds8

About 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid

5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid (PubChem CID 122056649) has the molecular formula C18H32N2O5S and a molecular weight of 388.53 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
PubChem CID122056649
Molecular FormulaC18H32N2O5S
Molecular Weight388.53 g/mol
Exact Mass388.20
IUPAC Name5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
SMILESCS(=O)(=O)N1CCC(C(=O)NC(CCC(=O)O)CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O5S/c1-26(24,25)20-11-9-15(10-12-20)18(23)19-16(7-8-17(21)22)13-14-5-3-2-4-6-14/h14-16H,2-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyFXYYLYJXMFSNLI-UHFFFAOYSA-N
XLogP1.98
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
5-cyclohexyl-4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]pentanoic acid
CID 122056748
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115764707
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid (CID 122056649) is 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid is CS(=O)(=O)N1CCC(C(=O)NC(CCC(=O)O)CC2CCCCC2)CC1.
What is the InChIKey of 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
The InChIKey is FXYYLYJXMFSNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5S/c1-26(24,25)20-11-9-15(10-12-20)18(23)19-16(7-8-17(21)22)13-14-5-3-2-4-6-14/h14-16H,2-13H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid has a molecular weight of 388.53 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122056649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).