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

C10H13N3O3S — CID 106545154

IUPAC2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H13N3O3S/c1-8(7-16-2)13-17(14,15)10-4-3-5-12-9(10)6-11/h3-5,8,13H,7H2,1-2H3
InChIKeyNOTRZVZFMWNQFJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.27
Rot. Bonds5

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

2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide (PubChem CID 106545154) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
PubChem CID106545154
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H13N3O3S/c1-8(7-16-2)13-17(14,15)10-4-3-5-12-9(10)6-11/h3-5,8,13H,7H2,1-2H3
InChIKeyNOTRZVZFMWNQFJ-UHFFFAOYSA-N
XLogP0.27
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106546616
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
CID 106596242
2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 106593407
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide (CID 106545154) is 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide is COCC(C)NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is NOTRZVZFMWNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-8(7-16-2)13-17(14,15)10-4-3-5-12-9(10)6-11/h3-5,8,13H,7H2,1-2H3.
What are the key properties of 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106545154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).