6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide

C12H17N3O3S — CID 115753732

IUPAC6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O3S/c1-9(2)5-11(8-16)15-19(17,18)12-4-3-10(6-13)14-7-12/h3-4,7,9,11,15-16H,5,8H2,1-2H3
InChIKeyLVISOKBARRLLAP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.64
Rot. Bonds6

About 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide

6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide (PubChem CID 115753732) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
PubChem CID115753732
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O3S/c1-9(2)5-11(8-16)15-19(17,18)12-4-3-10(6-13)14-7-12/h3-4,7,9,11,15-16H,5,8H2,1-2H3
InChIKeyLVISOKBARRLLAP-UHFFFAOYSA-N
XLogP0.64
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 114613820
2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 114613924
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
CID 61247517
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
CID 104935609
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
CID 115752512
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide (CID 115753732) is 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide is CC(C)CC(CO)NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide?
The InChIKey is LVISOKBARRLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9(2)5-11(8-16)15-19(17,18)12-4-3-10(6-13)14-7-12/h3-4,7,9,11,15-16H,5,8H2,1-2H3.
What are the key properties of 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide?
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115753732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).