N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C14H23N3O3S — CID 106075164

IUPACN-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)nc1
InChIInChI=1S/C14H23N3O3S/c1-14(2)8-12(6-7-20-14)17-21(18,19)13-5-4-11(9-15-3)10-16-13/h4-5,10,12,15,17H,6-9H2,1-3H3
InChIKeyJSVJBENHJKUJMX-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.04
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106075164) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106075164
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)nc1
InChIInChI=1S/C14H23N3O3S/c1-14(2)8-12(6-7-20-14)17-21(18,19)13-5-4-11(9-15-3)10-16-13/h4-5,10,12,15,17H,6-9H2,1-3H3
InChIKeyJSVJBENHJKUJMX-UHFFFAOYSA-N
XLogP1.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106075164) is N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)nc1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is JSVJBENHJKUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2)8-12(6-7-20-14)17-21(18,19)13-5-4-11(9-15-3)10-16-13/h4-5,10,12,15,17H,6-9H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106075164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).