1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

C12H22N2O4S — CID 113495111

IUPAC1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCS(=O)CCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4S/c1-3-19(18)9-7-13-11(17)14-8-5-4-6-12(14,2)10(15)16/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUWGUXKDQXYRNMZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.79
Rot. Bonds5

About 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 113495111) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID113495111
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCS(=O)CCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4S/c1-3-19(18)9-7-13-11(17)14-8-5-4-6-12(14,2)10(15)16/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUWGUXKDQXYRNMZ-UHFFFAOYSA-N
XLogP0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (CID 113495111) is 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is CCS(=O)CCNC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is UWGUXKDQXYRNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-3-19(18)9-7-13-11(17)14-8-5-4-6-12(14,2)10(15)16/h3-9H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113495111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).