4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile

C15H20N2O3S — CID 102743888

IUPAC4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile
SMILESCC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)O1
InChIInChI=1S/C15H20N2O3S/c1-14(2)10-17(11-15(3,4)20-14)21(18,19)13-7-5-12(9-16)6-8-13/h5-8H,10-11H2,1-4H3
InChIKeyAPPBASZSFMNYEG-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.14
Rot. Bonds2

About 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile

4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile (PubChem CID 102743888) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile
PubChem CID102743888
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile
SMILESCC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)O1
InChIInChI=1S/C15H20N2O3S/c1-14(2)10-17(11-15(3,4)20-14)21(18,19)13-7-5-12(9-16)6-8-13/h5-8H,10-11H2,1-4H3
InChIKeyAPPBASZSFMNYEG-UHFFFAOYSA-N
XLogP2.14
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 102743555
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
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4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
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4-[4-(cyanomethyl)piperazin-1-yl]sulfonylbenzonitrile
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4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
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4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)benzonitrile
CID 113356691
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 103576455
4-[[(6S)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
CID 97125888
4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3712210

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile?
The IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile (CID 102743888) is 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile.
What is the SMILES notation for 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile?
The canonical SMILES for 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile is CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)O1.
What is the InChIKey of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile?
The InChIKey is APPBASZSFMNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-14(2)10-17(11-15(3,4)20-14)21(18,19)13-7-5-12(9-16)6-8-13/h5-8H,10-11H2,1-4H3.
What are the key properties of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile?
4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile has a molecular weight of 308.40 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile is sourced from PubChem (CID 102743888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).