4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile

C12H14N2O3S — CID 24692962

IUPAC4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
SMILESCC1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1
InChIInChI=1S/C12H14N2O3S/c1-10-9-14(6-7-17-10)18(15,16)12-4-2-11(8-13)3-5-12/h2-5,10H,6-7,9H2,1H3
InChIKeyFCJUXXXPEXMBEA-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.97
Rot. Bonds2

About 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile

4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile (PubChem CID 24692962) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
PubChem CID24692962
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
SMILESCC1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1
InChIInChI=1S/C12H14N2O3S/c1-10-9-14(6-7-17-10)18(15,16)12-4-2-11(8-13)3-5-12/h2-5,10H,6-7,9H2,1H3
InChIKeyFCJUXXXPEXMBEA-UHFFFAOYSA-N
XLogP0.97
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43388105
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N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343671
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
4-(3,4-dimethylpiperazin-1-yl)sulfonylbenzonitrile
CID 63619441
4-[4-(2-bromoethyl)phenyl]sulfonyl-2-methylmorpholine
CID 110313837
4-[[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]sulfonyl]benzonitrile
CID 124572594
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenol
CID 62968856
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile?
The IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile (CID 24692962) is 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile is CC1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile?
The InChIKey is FCJUXXXPEXMBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-10-9-14(6-7-17-10)18(15,16)12-4-2-11(8-13)3-5-12/h2-5,10H,6-7,9H2,1H3.
What are the key properties of 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile?
4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile has a molecular weight of 266.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile is sourced from PubChem (CID 24692962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).