4-amino-1-methylsulfonylpiperidine-4-carboxylic acid

C7H14N2O4S — CID 130490742

IUPAC4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
SMILESCS(=O)(=O)N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-7(8,3-5-9)6(10)11/h2-5,8H2,1H3,(H,10,11)
InChIKeyKPMSKTGSLXVKBG-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.18
Rot. Bonds2

About 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid

4-amino-1-methylsulfonylpiperidine-4-carboxylic acid (PubChem CID 130490742) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
PubChem CID130490742
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
SMILESCS(=O)(=O)N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-7(8,3-5-9)6(10)11/h2-5,8H2,1H3,(H,10,11)
InChIKeyKPMSKTGSLXVKBG-UHFFFAOYSA-N
XLogP-1.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324162
1-acetyl-4-aminopiperidine-4-carboxylic acid
CID 127018755
6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
CID 151058381
4-amino-1-methoxypiperidine-4-carboxylic acid
CID 59614576
(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
CID 107323968
1-(4-methylsulfonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55135259
3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323953
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83266479
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid (CID 130490742) is 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid is CS(=O)(=O)N1CCC(N)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is KPMSKTGSLXVKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-7(8,3-5-9)6(10)11/h2-5,8H2,1H3,(H,10,11).
What are the key properties of 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid?
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 130490742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).