4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile

C12H15ClN4O3S — CID 79671468

IUPAC4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
SMILESCCNc1ncc(S(=O)(=O)N2CCOC(C#N)C2)cc1Cl
InChIInChI=1S/C12H15ClN4O3S/c1-2-15-12-11(13)5-10(7-16-12)21(18,19)17-3-4-20-9(6-14)8-17/h5,7,9H,2-4,8H2,1H3,(H,15,16)
InChIKeyUOBHYGALDOZMKA-UHFFFAOYSA-N
MW330.80 g/mol
LogP1.08
Rot. Bonds4

About 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile

4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile (PubChem CID 79671468) has the molecular formula C12H15ClN4O3S and a molecular weight of 330.80 g/mol. Its IUPAC name is 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
PubChem CID79671468
Molecular FormulaC12H15ClN4O3S
Molecular Weight330.80 g/mol
Exact Mass330.06
IUPAC Name4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
SMILESCCNc1ncc(S(=O)(=O)N2CCOC(C#N)C2)cc1Cl
InChIInChI=1S/C12H15ClN4O3S/c1-2-15-12-11(13)5-10(7-16-12)21(18,19)17-3-4-20-9(6-14)8-17/h5,7,9H,2-4,8H2,1H3,(H,15,16)
InChIKeyUOBHYGALDOZMKA-UHFFFAOYSA-N
XLogP1.08
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79675805
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239
4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79680999
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 64601331
4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 103306494
4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
CID 79676555
3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64601076
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
CID 64623353
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82735861
[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966945
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile (CID 79671468) is 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile is CCNc1ncc(S(=O)(=O)N2CCOC(C#N)C2)cc1Cl.
What is the InChIKey of 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The InChIKey is UOBHYGALDOZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S/c1-2-15-12-11(13)5-10(7-16-12)21(18,19)17-3-4-20-9(6-14)8-17/h5,7,9H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile has a molecular weight of 330.80 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79671468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).