4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide

C12H14N4O4S — CID 114613914

IUPAC4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H14N4O4S/c1-14-12(17)11-8-20-5-4-16(11)21(18,19)10-3-2-9(6-13)15-7-10/h2-3,7,11H,4-5,8H2,1H3,(H,14,17)
InChIKeyWRCGUBQVLKPHLE-UHFFFAOYSA-N
MW310.34 g/mol
LogP-0.91
Rot. Bonds3

About 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide

4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide (PubChem CID 114613914) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
PubChem CID114613914
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H14N4O4S/c1-14-12(17)11-8-20-5-4-16(11)21(18,19)10-3-2-9(6-13)15-7-10/h2-3,7,11H,4-5,8H2,1H3,(H,14,17)
InChIKeyWRCGUBQVLKPHLE-UHFFFAOYSA-N
XLogP-0.91
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide (CID 114613914) is 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is WRCGUBQVLKPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-14-12(17)11-8-20-5-4-16(11)21(18,19)10-3-2-9(6-13)15-7-10/h2-3,7,11H,4-5,8H2,1H3,(H,14,17).
What are the key properties of 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide?
4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 310.34 g/mol, XLogP of -0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 114613914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).