6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide

C12H17N3O3S — CID 115602608

IUPAC6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O3S/c1-4-15(10(2)9-18-3)19(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,4,9H2,1-3H3
InChIKeyFTGZNAHHMUUYAP-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.00
Rot. Bonds6

About 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide

6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide (PubChem CID 115602608) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
PubChem CID115602608
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O3S/c1-4-15(10(2)9-18-3)19(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,4,9H2,1-3H3
InChIKeyFTGZNAHHMUUYAP-UHFFFAOYSA-N
XLogP1.00
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N,N-bis(2-methoxyethyl)pyridine-3-sulfonamide
CID 1814408
2-Methylpyridine-3-sulfonamide
CID 22409057
3-(Morpholinosulfonyl)pyridine
CID 4276436
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CID 4296455
3-Methanesulfonylpyridine-2-carbonitrile
CID 23436943
6-Methylpyridine-3-sulfonamide
CID 45080575
6-Cyanopyridine-3-sulfonyl chloride
CID 47003190
6-Cyanopyridine-3-sulfonamide
CID 57625434
5-(Methylsulfonyl)pyridine-2-carbonitrile
CID 59169929
4-{2-[1-(3-Pyridinylsulfonyl)-2-piperidinyl]ethyl}morpholine
CID 70720389
N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453647
N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600539

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide (CID 115602608) is 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide is CCN(C(C)COC)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is FTGZNAHHMUUYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-4-15(10(2)9-18-3)19(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,4,9H2,1-3H3.
What are the key properties of 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).