6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

C8H13N3O2S2 — CID 63963985

IUPAC6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C8H13N3O2S2/c1-14-5-4-11-15(12,13)7-2-3-8(9)10-6-7/h2-3,6,11H,4-5H2,1H3,(H2,9,10)
InChIKeyUYXJJBNJCXZWJR-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.31
Rot. Bonds5

About 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (PubChem CID 63963985) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
PubChem CID63963985
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C8H13N3O2S2/c1-14-5-4-11-15(12,13)7-2-3-8(9)10-6-7/h2-3,6,11H,4-5H2,1H3,(H2,9,10)
InChIKeyUYXJJBNJCXZWJR-UHFFFAOYSA-N
XLogP0.31
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.31
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

6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
6-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144216
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
4-[3-(methylamino)propoxy]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063766
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (CID 63963985) is 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide is CSCCNS(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The InChIKey is UYXJJBNJCXZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-14-5-4-11-15(12,13)7-2-3-8(9)10-6-7/h2-3,6,11H,4-5H2,1H3,(H2,9,10).
What are the key properties of 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63963985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).