2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine

C18H20N6O3S — CID 46956638

IUPAC2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H20N6O3S/c1-27-15-7-9-16(10-8-15)28(25,26)23-12-4-5-14(23)13-24-21-18(20-22-24)17-6-2-3-11-19-17/h2-3,6-11,14H,4-5,12-13H2,1H3/t14-/m0/s1
InChIKeyGSVBGWAMUNCYID-AWEZNQCLSA-N
MW400.46 g/mol
LogP1.60
Rot. Bonds6

About 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine

2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine (PubChem CID 46956638) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
PubChem CID46956638
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H20N6O3S/c1-27-15-7-9-16(10-8-15)28(25,26)23-12-4-5-14(23)13-24-21-18(20-22-24)17-6-2-3-11-19-17/h2-3,6-11,14H,4-5,12-13H2,1H3/t14-/m0/s1
InChIKeyGSVBGWAMUNCYID-AWEZNQCLSA-N
XLogP1.60
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine 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

2-[2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
CID 51493721
[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 91467228
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
2-(bromomethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 80676501
S-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl] ethanethioate
CID 15895345
2-[2-(methoxymethyl)tetrazol-5-yl]pyridine
CID 4915943
2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 59746443
1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 92577777
3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole
CID 155882090
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 3825006
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11934998

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine (CID 46956638) is 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine is COc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
The InChIKey is GSVBGWAMUNCYID-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-27-15-7-9-16(10-8-15)28(25,26)23-12-4-5-14(23)13-24-21-18(20-22-24)17-6-2-3-11-19-17/h2-3,6-11,14H,4-5,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine?
2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine has a molecular weight of 400.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 46956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).