1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid

C12H22N2O5S — CID 122113428

IUPAC1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCCS(=O)(=O)N(C)CC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C12H22N2O5S/c1-4-20(18,19)13(3)8-11(15)14-7-10(12(16)17)6-5-9(14)2/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyJQTXHKZSVJAJGH-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.02
Rot. Bonds5

About 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid

1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113428) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122113428
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCCS(=O)(=O)N(C)CC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C12H22N2O5S/c1-4-20(18,19)13(3)8-11(15)14-7-10(12(16)17)6-5-9(14)2/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyJQTXHKZSVJAJGH-UHFFFAOYSA-N
XLogP-0.02
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 47417132
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113995
1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119355518
(2R)-1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119370547
6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122083544
1-[2-(cyclopropylmethoxy)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113926
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106741697
1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083654
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083922
6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
CID 122113402

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid (CID 122113428) is 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid is CCS(=O)(=O)N(C)CC(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is JQTXHKZSVJAJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-4-20(18,19)13(3)8-11(15)14-7-10(12(16)17)6-5-9(14)2/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid?
1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).