N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide

C11H18N2O4S — CID 103835036

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N2O4S/c1-11(14,5-7-17-2)9-13-18(15,16)10-4-3-6-12-8-10/h3-4,6,8,13-14H,5,7,9H2,1-2H3
InChIKeyRTSIEFOHNBIMOD-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.15
Rot. Bonds7

About N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide (PubChem CID 103835036) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
PubChem CID103835036
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N2O4S/c1-11(14,5-7-17-2)9-13-18(15,16)10-4-3-6-12-8-10/h3-4,6,8,13-14H,5,7,9H2,1-2H3
InChIKeyRTSIEFOHNBIMOD-UHFFFAOYSA-N
XLogP0.15
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 72883746
N~3~-(Tetrahydro-2H-pyran-4-ylmethyl)-3-pyridinesulfonamide
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N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
CID 71969784
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-3-sulfonamide
CID 75496146
N-(2-amino-2-ethylbutyl)pyridine-3-sulfonamide
CID 84591326
N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide
CID 95970906
5-fluoro-N-[(2S)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
CID 97325982
N-{[4-(Hydroxymethyl)oxan-4-YL]methyl}pyridine-3-sulfonamide
CID 122556089

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide (CID 103835036) is N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide is COCCC(C)(O)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is RTSIEFOHNBIMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-11(14,5-7-17-2)9-13-18(15,16)10-4-3-6-12-8-10/h3-4,6,8,13-14H,5,7,9H2,1-2H3.
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103835036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).