N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide

C12H15N3O3S — CID 106546607

IUPACN-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H15N3O3S/c1-2-3-8-18-9-7-15-19(16,17)12-5-4-6-14-11(12)10-13/h2,4-6,15H,1,3,7-9H2
InChIKeyIAXKAQDIKHSREU-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.82
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide

N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106546607) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106546607
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C12H15N3O3S/c1-2-3-8-18-9-7-15-19(16,17)12-5-4-6-14-11(12)10-13/h2,4-6,15H,1,3,7-9H2
InChIKeyIAXKAQDIKHSREU-UHFFFAOYSA-N
XLogP0.82
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
2-amino-N-(2-but-3-enoxyethyl)-4-cyanobenzenesulfonamide
CID 106392608
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106545557
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide (CID 106546607) is N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide is C=CCCOCCNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is IAXKAQDIKHSREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-3-8-18-9-7-15-19(16,17)12-5-4-6-14-11(12)10-13/h2,4-6,15H,1,3,7-9H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide?
N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106546607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).