N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C13H23N3O2S2 — CID 106084685

IUPACN-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1ccc(CNC)cn1
InChIInChI=1S/C13H23N3O2S2/c1-4-19-8-7-11(2)16-20(17,18)13-6-5-12(9-14-3)10-15-13/h5-6,10-11,14,16H,4,7-9H2,1-3H3
InChIKeyYQUPVKYPAQQCOK-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.61
Rot. Bonds9

About N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106084685) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106084685
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1ccc(CNC)cn1
InChIInChI=1S/C13H23N3O2S2/c1-4-19-8-7-11(2)16-20(17,18)13-6-5-12(9-14-3)10-15-13/h5-6,10-11,14,16H,4,7-9H2,1-3H3
InChIKeyYQUPVKYPAQQCOK-UHFFFAOYSA-N
XLogP1.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106084558
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091
4-(cyanomethyl)-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115672028
N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684
N-(4-ethylsulfanylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084672
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 106050373
5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide
CID 106066707
N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106084648
3-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106084643
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106084685) is N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CCSCCC(C)NS(=O)(=O)c1ccc(CNC)cn1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is YQUPVKYPAQQCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-19-8-7-11(2)16-20(17,18)13-6-5-12(9-14-3)10-15-13/h5-6,10-11,14,16H,4,7-9H2,1-3H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106084685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).