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

C10H13N3O3S2 — CID 106546033

IUPAC2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H13N3O3S2/c1-2-17(14)7-6-13-18(15,16)10-4-3-5-12-9(10)8-11/h3-5,13H,2,6-7H2,1H3
InChIKeyBNWJOPBIOQDJML-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.00
Rot. Bonds6

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

2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide (PubChem CID 106546033) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
PubChem CID106546033
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H13N3O3S2/c1-2-17(14)7-6-13-18(15,16)10-4-3-5-12-9(10)8-11/h3-5,13H,2,6-7H2,1H3
InChIKeyBNWJOPBIOQDJML-UHFFFAOYSA-N
XLogP0.00
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
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-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106545557
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide
CID 106546607
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide (CID 106546033) is 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide is CCS(=O)CCNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
The InChIKey is BNWJOPBIOQDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-2-17(14)7-6-13-18(15,16)10-4-3-5-12-9(10)8-11/h3-5,13H,2,6-7H2,1H3.
What are the key properties of 2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.00, 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-ethylsulfinylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).