1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane

C18H29N5O2S — CID 126893450

IUPAC1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H29N5O2S/c24-26(25,22-9-5-1-2-6-10-22)23-15-17(16-23)20-11-13-21(14-12-20)18-7-3-4-8-19-18/h3-4,7-8,17H,1-2,5-6,9-16H2
InChIKeyOESZYOAFNPHCNZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.01
Rot. Bonds4

About 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane

1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane (PubChem CID 126893450) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane.

Molecular Properties

Compound Name1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
PubChem CID126893450
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H29N5O2S/c24-26(25,22-9-5-1-2-6-10-22)23-15-17(16-23)20-11-13-21(14-12-20)18-7-3-4-8-19-18/h3-4,7-8,17H,1-2,5-6,9-16H2
InChIKeyOESZYOAFNPHCNZ-UHFFFAOYSA-N
XLogP1.01
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane 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-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
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-(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-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane?
The IUPAC name of 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane (CID 126893450) is 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane.
What is the SMILES notation for 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane?
The canonical SMILES for 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane is O=S(=O)(N1CCCCCC1)N1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane?
The InChIKey is OESZYOAFNPHCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c24-26(25,22-9-5-1-2-6-10-22)23-15-17(16-23)20-11-13-21(14-12-20)18-7-3-4-8-19-18/h3-4,7-8,17H,1-2,5-6,9-16H2.
What are the key properties of 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane?
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane has a molecular weight of 379.53 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane is sourced from PubChem (CID 126893450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).