4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile

C10H11N3O4S — CID 79676932

IUPAC4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2c[nH]ccc2=O)CCO1
InChIInChI=1S/C10H11N3O4S/c11-5-8-7-13(3-4-17-8)18(15,16)10-6-12-2-1-9(10)14/h1-2,6,8H,3-4,7H2,(H,12,14)
InChIKeyGIMADXKTUBLVOX-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.71
Rot. Bonds2

About 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile

4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile (PubChem CID 79676932) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile
PubChem CID79676932
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2c[nH]ccc2=O)CCO1
InChIInChI=1S/C10H11N3O4S/c11-5-8-7-13(3-4-17-8)18(15,16)10-6-12-2-1-9(10)14/h1-2,6,8H,3-4,7H2,(H,12,14)
InChIKeyGIMADXKTUBLVOX-UHFFFAOYSA-N
XLogP-0.71
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935
4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
CID 79676555
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
CID 78946042
3-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyridin-4-one
CID 114539246
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
CID 64597440
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile
CID 79676095
4-(5-amino-4-bromo-2-fluorophenyl)sulfonylmorpholine-2-carbonitrile
CID 116530479
4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carbonitrile
CID 79675035
3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 79674690

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile (CID 79676932) is 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)c2c[nH]ccc2=O)CCO1.
What is the InChIKey of 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile?
The InChIKey is GIMADXKTUBLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c11-5-8-7-13(3-4-17-8)18(15,16)10-6-12-2-1-9(10)14/h1-2,6,8H,3-4,7H2,(H,12,14).
What are the key properties of 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile?
4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile has a molecular weight of 269.28 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79676932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).