N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide

C12H20N2O3S — CID 829842

IUPACN,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)nc1
InChIInChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)11-7-8-12(13-9-11)17-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyJTKMFYVAUHKKGZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.90
Rot. Bonds6

About N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide

N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide (PubChem CID 829842) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide
PubChem CID829842
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)nc1
InChIInChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)11-7-8-12(13-9-11)17-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyJTKMFYVAUHKKGZ-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide (CID 829842) is N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)nc1.
What is the InChIKey of N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide?
The InChIKey is JTKMFYVAUHKKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)11-7-8-12(13-9-11)17-10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide?
N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-propan-2-yloxypyridine-3-sulfonamide is sourced from PubChem (CID 829842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).