3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide

C11H14N4O3S — CID 165435883

IUPAC3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(Oc2ccnc(C#N)c2)C1
InChIInChI=1S/C11H14N4O3S/c1-14(2)19(16,17)15-7-11(8-15)18-10-3-4-13-9(5-10)6-12/h3-5,11H,7-8H2,1-2H3
InChIKeyPSTGRDQHCMIOJT-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.18
Rot. Bonds4

About 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide

3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 165435883) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide
PubChem CID165435883
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(Oc2ccnc(C#N)c2)C1
InChIInChI=1S/C11H14N4O3S/c1-14(2)19(16,17)15-7-11(8-15)18-10-3-4-13-9(5-10)6-12/h3-5,11H,7-8H2,1-2H3
InChIKeyPSTGRDQHCMIOJT-UHFFFAOYSA-N
XLogP-0.18
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide (CID 165435883) is 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(Oc2ccnc(C#N)c2)C1.
What is the InChIKey of 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is PSTGRDQHCMIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-14(2)19(16,17)15-7-11(8-15)18-10-3-4-13-9(5-10)6-12/h3-5,11H,7-8H2,1-2H3.
What are the key properties of 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 165435883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).