(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

C15H21N3O4S — CID 122059848

IUPAC(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H21N3O4S/c19-15(20)13-5-4-10-18(13)14-7-6-12(11-16-14)23(21,22)17-8-2-1-3-9-17/h6-7,11,13H,1-5,8-10H2,(H,19,20)/t13-/m0/s1
InChIKeyWWLWRJVAXXMQJB-ZDUSSCGKSA-N
MW339.42 g/mol
LogP1.31
Rot. Bonds4

About (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 122059848) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID122059848
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H21N3O4S/c19-15(20)13-5-4-10-18(13)14-7-6-12(11-16-14)23(21,22)17-8-2-1-3-9-17/h6-7,11,13H,1-5,8-10H2,(H,19,20)/t13-/m0/s1
InChIKeyWWLWRJVAXXMQJB-ZDUSSCGKSA-N
XLogP1.31
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 122059848) is (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WWLWRJVAXXMQJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-15(20)13-5-4-10-18(13)14-7-6-12(11-16-14)23(21,22)17-8-2-1-3-9-17/h6-7,11,13H,1-5,8-10H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).