2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

C11H15N3O2S2 — CID 106546061

IUPAC2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O2S2/c1-9(8-17-2)7-14-18(15,16)11-4-3-5-13-10(11)6-12/h3-5,9,14H,7-8H2,1-2H3
InChIKeyLYEPUVISQOXBIK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.23
Rot. Bonds6

About 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (PubChem CID 106546061) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
PubChem CID106546061
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O2S2/c1-9(8-17-2)7-14-18(15,16)11-4-3-5-13-10(11)6-12/h3-5,9,14H,7-8H2,1-2H3
InChIKeyLYEPUVISQOXBIK-UHFFFAOYSA-N
XLogP1.23
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
CID 106546169
2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 107270957
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064886
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (CID 106546061) is 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is CSCC(C)CNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The InChIKey is LYEPUVISQOXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-9(8-17-2)7-14-18(15,16)11-4-3-5-13-10(11)6-12/h3-5,9,14H,7-8H2,1-2H3.
What are the key properties of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).