N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide

C13H23N3O2S — CID 103464350

IUPACN-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC(C)(C)CC)cn1
InChIInChI=1S/C13H23N3O2S/c1-5-13(3,4)10-16-19(17,18)11-7-8-12(14-6-2)15-9-11/h7-9,16H,5-6,10H2,1-4H3,(H,14,15)
InChIKeySLXXEHGYQDMMEP-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.23
Rot. Bonds7

About N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide

N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 103464350) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID103464350
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC(C)(C)CC)cn1
InChIInChI=1S/C13H23N3O2S/c1-5-13(3,4)10-16-19(17,18)11-7-8-12(14-6-2)15-9-11/h7-9,16H,5-6,10H2,1-4H3,(H,14,15)
InChIKeySLXXEHGYQDMMEP-UHFFFAOYSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
CID 115522012
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62150157
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide (CID 103464350) is N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCC(C)(C)CC)cn1.
What is the InChIKey of N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is SLXXEHGYQDMMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-13(3,4)10-16-19(17,18)11-7-8-12(14-6-2)15-9-11/h7-9,16H,5-6,10H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide?
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 103464350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).