4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine

C13H20N4O3S — CID 35582506

IUPAC4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H20N4O3S/c18-21(19,17-9-11-20-12-10-17)16-7-5-15(6-8-16)13-3-1-2-4-14-13/h1-4H,5-12H2
InChIKeyLHQSCSXYLUYUQO-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.22
Rot. Bonds3

About 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine

4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine (PubChem CID 35582506) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
PubChem CID35582506
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H20N4O3S/c18-21(19,17-9-11-20-12-10-17)16-7-5-15(6-8-16)13-3-1-2-4-14-13/h1-4H,5-12H2
InChIKeyLHQSCSXYLUYUQO-UHFFFAOYSA-N
XLogP-0.22
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 167750740
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321740
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine
CID 133373516

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine?
The IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine (CID 35582506) is 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine?
The canonical SMILES for 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine?
The InChIKey is LHQSCSXYLUYUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c18-21(19,17-9-11-20-12-10-17)16-7-5-15(6-8-16)13-3-1-2-4-14-13/h1-4H,5-12H2.
What are the key properties of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine?
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine has a molecular weight of 312.39 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine is sourced from PubChem (CID 35582506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).