(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid

C11H20N2O4S — CID 129410180

IUPAC(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-9-3-2-5-12(7-9)18(16,17)13-6-4-10(8-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeySUABWNIAZXVRRD-NXEZZACHSA-N
MW276.36 g/mol
LogP0.37
Rot. Bonds3

About (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid

(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 129410180) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
PubChem CID129410180
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-9-3-2-5-12(7-9)18(16,17)13-6-4-10(8-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeySUABWNIAZXVRRD-NXEZZACHSA-N
XLogP0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid (CID 129410180) is (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid is C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is SUABWNIAZXVRRD-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9-3-2-5-12(7-9)18(16,17)13-6-4-10(8-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid?
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129410180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).