N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide

C13H23N3O2S — CID 62146399

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)C(C)C(C)(C)C)ccn1
InChIInChI=1S/C13H23N3O2S/c1-10(13(2,3)4)16(6)19(17,18)11-7-8-15-12(9-11)14-5/h7-10H,1-6H3,(H,14,15)
InChIKeyHFZLTLZYWBFUBK-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.18
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62146399) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62146399
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)N(C)C(C)C(C)(C)C)ccn1
InChIInChI=1S/C13H23N3O2S/c1-10(13(2,3)4)16(6)19(17,18)11-7-8-15-12(9-11)14-5/h7-10H,1-6H3,(H,14,15)
InChIKeyHFZLTLZYWBFUBK-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide (CID 62146399) is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)N(C)C(C)C(C)(C)C)ccn1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is HFZLTLZYWBFUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(13(2,3)4)16(6)19(17,18)11-7-8-15-12(9-11)14-5/h7-10H,1-6H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62146399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).