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

C13H24N2O5S — CID 62032483

IUPAC5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCCC(=O)O)CC1
InChIInChI=1S/C13H24N2O5S/c1-2-21(19,20)15-9-6-11(7-10-15)13(18)14-8-4-3-5-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyUSPHFADIRBECBJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.42
Rot. Bonds8

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

5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid (PubChem CID 62032483) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
PubChem CID62032483
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCCC(=O)O)CC1
InChIInChI=1S/C13H24N2O5S/c1-2-21(19,20)15-9-6-11(7-10-15)13(18)14-8-4-3-5-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyUSPHFADIRBECBJ-UHFFFAOYSA-N
XLogP0.42
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60951236
2-[2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241575
3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60950734
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
CID 3636219
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid (CID 62032483) is 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid is CCS(=O)(=O)N1CCC(C(=O)NCCCCC(=O)O)CC1.
What is the InChIKey of 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
The InChIKey is USPHFADIRBECBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-2-21(19,20)15-9-6-11(7-10-15)13(18)14-8-4-3-5-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid?
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid has a molecular weight of 320.41 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62032483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).