6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide

C11H19N3O2S — CID 62152603

IUPAC6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C11H19N3O2S/c1-9(2)6-7-14(3)17(15,16)10-4-5-11(12)13-8-10/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13)
InChIKeyLIUIOQWNYFTXFM-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.33
Rot. Bonds5

About 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide

6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide (PubChem CID 62152603) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
PubChem CID62152603
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C11H19N3O2S/c1-9(2)6-7-14(3)17(15,16)10-4-5-11(12)13-8-10/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13)
InChIKeyLIUIOQWNYFTXFM-UHFFFAOYSA-N
XLogP1.33
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide (CID 62152603) is 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide is CC(C)CCN(C)S(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is LIUIOQWNYFTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)6-7-14(3)17(15,16)10-4-5-11(12)13-8-10/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13).
What are the key properties of 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62152603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).