4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile

C11H19N3O3S — CID 78946362

IUPAC4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
SMILESCC1CCCCN1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H19N3O3S/c1-10-4-2-3-5-14(10)18(15,16)13-6-7-17-11(8-12)9-13/h10-11H,2-7,9H2,1H3
InChIKeyIENMEFPEZUCPAK-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.33
Rot. Bonds2

About 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile

4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile (PubChem CID 78946362) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
PubChem CID78946362
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
SMILESCC1CCCCN1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H19N3O3S/c1-10-4-2-3-5-14(10)18(15,16)13-6-7-17-11(8-12)9-13/h10-11H,2-7,9H2,1H3
InChIKeyIENMEFPEZUCPAK-UHFFFAOYSA-N
XLogP0.33
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile 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

4-piperidin-1-ylsulfonylmorpholine-2-carbonitrile
CID 78946361
4-cyclopentylsulfonylmorpholine-2-carbonitrile
CID 115616289
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
CID 62075705
4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55598118
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
CID 96510950
N-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714929
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
CID 55258735
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 113360742
[(2R)-1-[(2S)-2-methylmorpholin-4-yl]sulfonylpiperidin-2-yl]methanamine
CID 124513908
methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
CID 103343209

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile (CID 78946362) is 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile is CC1CCCCN1S(=O)(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile?
The InChIKey is IENMEFPEZUCPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-10-4-2-3-5-14(10)18(15,16)13-6-7-17-11(8-12)9-13/h10-11H,2-7,9H2,1H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile?
4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile has a molecular weight of 273.36 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 78946362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).