2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide

C11H15N3O2S2 — CID 114248056

IUPAC2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCCSCCCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O2S2/c1-2-17-8-4-7-14-18(15,16)11-5-3-6-13-10(11)9-12/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyQYKMEXINRAQMRE-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds7

About 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide

2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide (PubChem CID 114248056) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
PubChem CID114248056
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCCSCCCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O2S2/c1-2-17-8-4-7-14-18(15,16)11-5-3-6-13-10(11)9-12/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyQYKMEXINRAQMRE-UHFFFAOYSA-N
XLogP1.37
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106545557
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide
CID 106546607

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide (CID 114248056) is 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide is CCSCCCNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide?
The InChIKey is QYKMEXINRAQMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-2-17-8-4-7-14-18(15,16)11-5-3-6-13-10(11)9-12/h3,5-6,14H,2,4,7-8H2,1H3.
What are the key properties of 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide?
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114248056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).