(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid

C10H18N2O4S — CID 28784068

IUPAC(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C10H18N2O4S/c13-10(14)9-4-3-7-12(8-9)17(15,16)11-5-1-2-6-11/h9H,1-8H2,(H,13,14)/t9-/m1/s1
InChIKeyLWOASKLVDJFMEW-SECBINFHSA-N
MW262.33 g/mol
LogP0.12
Rot. Bonds3

About (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid

(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 28784068) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID28784068
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C10H18N2O4S/c13-10(14)9-4-3-7-12(8-9)17(15,16)11-5-1-2-6-11/h9H,1-8H2,(H,13,14)/t9-/m1/s1
InChIKeyLWOASKLVDJFMEW-SECBINFHSA-N
XLogP0.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
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-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 66392901
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
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938

Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid (CID 28784068) is (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is LWOASKLVDJFMEW-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-10(14)9-4-3-7-12(8-9)17(15,16)11-5-1-2-6-11/h9H,1-8H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid?
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 28784068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).