N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide

C13H20N2O3S — CID 140963615

IUPACN-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide
SMILESCOc1ncc(C(C)(C)C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)9-7-11(12(18-4)14-8-9)15-19(16,17)10-5-6-10/h7-8,10,15H,5-6H2,1-4H3
InChIKeyPCLDEANPRQEDGK-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.29
Rot. Bonds4

About N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide

N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide (PubChem CID 140963615) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide
PubChem CID140963615
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide
SMILESCOc1ncc(C(C)(C)C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)9-7-11(12(18-4)14-8-9)15-19(16,17)10-5-6-10/h7-8,10,15H,5-6H2,1-4H3
InChIKeyPCLDEANPRQEDGK-UHFFFAOYSA-N
XLogP2.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide (CID 140963615) is N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide is COc1ncc(C(C)(C)C)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide?
The InChIKey is PCLDEANPRQEDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)9-7-11(12(18-4)14-8-9)15-19(16,17)10-5-6-10/h7-8,10,15H,5-6H2,1-4H3.
What are the key properties of N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide?
N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide is sourced from PubChem (CID 140963615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).