1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine

C16H25N5O2S — CID 126893363

IUPAC1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
SMILESO=S(=O)(N1CCCC1)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C16H25N5O2S/c22-24(23,20-7-3-4-8-20)21-13-15(14-21)18-9-11-19(12-10-18)16-5-1-2-6-17-16/h1-2,5-6,15H,3-4,7-14H2
InChIKeyGDKHPFMCRSQQDL-UHFFFAOYSA-N
MW351.48 g/mol
LogP0.23
Rot. Bonds4

About 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine

1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine (PubChem CID 126893363) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
PubChem CID126893363
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
SMILESO=S(=O)(N1CCCC1)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C16H25N5O2S/c22-24(23,20-7-3-4-8-20)21-13-15(14-21)18-9-11-19(12-10-18)16-5-1-2-6-17-16/h1-2,5-6,15H,3-4,7-14H2
InChIKeyGDKHPFMCRSQQDL-UHFFFAOYSA-N
XLogP0.23
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893449
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893366
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine?
The IUPAC name of 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine (CID 126893363) is 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine is O=S(=O)(N1CCCC1)N1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine?
The InChIKey is GDKHPFMCRSQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c22-24(23,20-7-3-4-8-20)21-13-15(14-21)18-9-11-19(12-10-18)16-5-1-2-6-17-16/h1-2,5-6,15H,3-4,7-14H2.
What are the key properties of 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine?
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine has a molecular weight of 351.48 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine is sourced from PubChem (CID 126893363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).