N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C13H23N3O2S — CID 106079204

IUPACN-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)C(C)(C)C)nc1
InChIInChI=1S/C13H23N3O2S/c1-10(13(2,3)4)16-19(17,18)12-7-6-11(8-14-5)9-15-12/h6-7,9-10,14,16H,8H2,1-5H3
InChIKeyGGWHDUCKYDENFA-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.51
Rot. Bonds5

About N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106079204) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106079204
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)C(C)(C)C)nc1
InChIInChI=1S/C13H23N3O2S/c1-10(13(2,3)4)16-19(17,18)12-7-6-11(8-14-5)9-15-12/h6-7,9-10,14,16H,8H2,1-5H3
InChIKeyGGWHDUCKYDENFA-UHFFFAOYSA-N
XLogP1.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106084685
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 106050373
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106079204) is N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC(C)C(C)(C)C)nc1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is GGWHDUCKYDENFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(13(2,3)4)16-19(17,18)12-7-6-11(8-14-5)9-15-12/h6-7,9-10,14,16H,8H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106079204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).