4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile

C10H17N3O3S — CID 78946361

IUPAC4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)N2CCCCC2)CCO1
InChIInChI=1S/C10H17N3O3S/c11-8-10-9-13(6-7-16-10)17(14,15)12-4-2-1-3-5-12/h10H,1-7,9H2
InChIKeyCTWYUDIGPYXUEQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.06
Rot. Bonds2

About 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile

4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile (PubChem CID 78946361) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile
PubChem CID78946361
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)N2CCCCC2)CCO1
InChIInChI=1S/C10H17N3O3S/c11-8-10-9-13(6-7-16-10)17(14,15)12-4-2-1-3-5-12/h10H,1-7,9H2
InChIKeyCTWYUDIGPYXUEQ-UHFFFAOYSA-N
XLogP-0.06
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
CID 78946362
4-cyclopentylsulfonylmorpholine-2-carbonitrile
CID 115616289
4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile
CID 79676246
(2S)-4-piperidin-1-ylsulfonylmorpholine-2-carboxamide
CID 94381384
1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
CID 113285038
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
CID 96510950
methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
CID 103343209
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile
CID 107327297
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile (CID 78946361) is 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)N2CCCCC2)CCO1.
What is the InChIKey of 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile?
The InChIKey is CTWYUDIGPYXUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c11-8-10-9-13(6-7-16-10)17(14,15)12-4-2-1-3-5-12/h10H,1-7,9H2.
What are the key properties of 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile?
4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile has a molecular weight of 259.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 78946361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).