2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide

C9H15N3O2S2 — CID 63962498

IUPAC2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCCCNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C9H15N3O2S2/c1-15-7-3-6-12-16(13,14)8-4-2-5-11-9(8)10/h2,4-5,12H,3,6-7H2,1H3,(H2,10,11)
InChIKeyZYXBLOKZFQGRSC-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.70
Rot. Bonds6

About 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide

2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide (PubChem CID 63962498) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide
PubChem CID63962498
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCCCNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C9H15N3O2S2/c1-15-7-3-6-12-16(13,14)8-4-2-5-11-9(8)10/h2,4-5,12H,3,6-7H2,1H3,(H2,10,11)
InChIKeyZYXBLOKZFQGRSC-UHFFFAOYSA-N
XLogP0.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.70
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

2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 62156997
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
N-[2-[(2-amino-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 62146437
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
CID 62641127
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62163350
2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
CID 104922252
3-amino-2,4-difluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 107343575
2-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106413785
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide (CID 63962498) is 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide is CSCCCNS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The InChIKey is ZYXBLOKZFQGRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-15-7-3-6-12-16(13,14)8-4-2-5-11-9(8)10/h2,4-5,12H,3,6-7H2,1H3,(H2,10,11).
What are the key properties of 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide?
2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide has a molecular weight of 261.37 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63962498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).