1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid

C14H19N3O4S — CID 122064558

IUPAC1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1
InChIInChI=1S/C14H19N3O4S/c18-14(19)11-9-16(10-11)13-5-4-12(8-15-13)22(20,21)17-6-2-1-3-7-17/h4-5,8,11H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyPONIZYPEDQITHP-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.78
Rot. Bonds4

About 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid

1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid (PubChem CID 122064558) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
PubChem CID122064558
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1
InChIInChI=1S/C14H19N3O4S/c18-14(19)11-9-16(10-11)13-5-4-12(8-15-13)22(20,21)17-6-2-1-3-7-17/h4-5,8,11H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyPONIZYPEDQITHP-UHFFFAOYSA-N
XLogP0.78
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 47983366
1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133354493
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605
1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 9282287

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid (CID 122064558) is 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid is O=C(O)C1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1.
What is the InChIKey of 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid?
The InChIKey is PONIZYPEDQITHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c18-14(19)11-9-16(10-11)13-5-4-12(8-15-13)22(20,21)17-6-2-1-3-7-17/h4-5,8,11H,1-3,6-7,9-10H2,(H,18,19).
What are the key properties of 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid?
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 122064558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).