3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile

C12H15N3O3S — CID 106545672

IUPAC3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1(C)COCCN1S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H15N3O3S/c1-12(2)9-18-7-6-15(12)19(16,17)11-4-3-5-14-10(11)8-13/h3-5H,6-7,9H2,1-2H3
InChIKeyYEHIDRKTDIPTMD-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.75
Rot. Bonds2

About 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile

3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 106545672) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
PubChem CID106545672
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1(C)COCCN1S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H15N3O3S/c1-12(2)9-18-7-6-15(12)19(16,17)11-4-3-5-14-10(11)8-13/h3-5H,6-7,9H2,1-2H3
InChIKeyYEHIDRKTDIPTMD-UHFFFAOYSA-N
XLogP0.75
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-(3,3-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 64899141
2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide
CID 106546677
3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106545073
3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595489
3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106546645
3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine
CID 154789646
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 106546619
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
3-(2,3-dihydroindol-1-ylsulfonyl)pyridine-2-carbonitrile
CID 106545109
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile (CID 106545672) is 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile is CC1(C)COCCN1S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is YEHIDRKTDIPTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-12(2)9-18-7-6-15(12)19(16,17)11-4-3-5-14-10(11)8-13/h3-5H,6-7,9H2,1-2H3.
What are the key properties of 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 106545672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).