1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

C11H21N3O4S — CID 61403844

IUPAC1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESNC1CCCN(S(=O)(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C11H21N3O4S/c12-10-4-2-6-14(8-10)19(17,18)13-5-1-3-9(7-13)11(15)16/h9-10H,1-8,12H2,(H,15,16)
InChIKeyQUSBBZHFDMGJON-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.55
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 61403844) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID61403844
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESNC1CCCN(S(=O)(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C11H21N3O4S/c12-10-4-2-6-14(8-10)19(17,18)13-5-1-3-9(7-13)11(15)16/h9-10H,1-8,12H2,(H,15,16)
InChIKeyQUSBBZHFDMGJON-UHFFFAOYSA-N
XLogP-0.55
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 66392901
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
1-(1,4-thiazepan-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 61419208
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 102984420

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (CID 61403844) is 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is NC1CCCN(S(=O)(=O)N2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is QUSBBZHFDMGJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c12-10-4-2-6-14(8-10)19(17,18)13-5-1-3-9(7-13)11(15)16/h9-10H,1-8,12H2,(H,15,16).
What are the key properties of 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 61403844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).