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

C13H23N3O2S — CID 62151361

IUPAC6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)CCC(C)C)cn1
InChIInChI=1S/C13H23N3O2S/c1-5-14-13-7-6-12(10-15-13)19(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)
InChIKeyVNOOTHJTYAQVMO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.18
Rot. Bonds7

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

6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide (PubChem CID 62151361) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
PubChem CID62151361
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)CCC(C)C)cn1
InChIInChI=1S/C13H23N3O2S/c1-5-14-13-7-6-12(10-15-13)19(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)
InChIKeyVNOOTHJTYAQVMO-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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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Related Compounds

6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-sulfonamide
CID 62337809
6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62152603
N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 63726875
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62159357
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
CID 62147366
N-cycloheptyl-6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62145787
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
4-bromo-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060305
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide (CID 62151361) is 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)N(C)CCC(C)C)cn1.
What is the InChIKey of 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is VNOOTHJTYAQVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-14-13-7-6-12(10-15-13)19(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15).
What are the key properties of 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62151361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).