N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

C10H16N2O3S2 — CID 90523077

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H16N2O3S2/c1-10(13,8-16-2)7-12-17(14,15)9-4-3-5-11-6-9/h3-6,12-13H,7-8H2,1-2H3
InChIKeyOSDYLXDHJVPENP-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.47
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (PubChem CID 90523077) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
PubChem CID90523077
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H16N2O3S2/c1-10(13,8-16-2)7-12-17(14,15)9-4-3-5-11-6-9/h3-6,12-13H,7-8H2,1-2H3
InChIKeyOSDYLXDHJVPENP-UHFFFAOYSA-N
XLogP0.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
CID 103835702
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-5-sulfonamide
CID 106245543
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 71782466
2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835588
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]-N-methylbenzamide
CID 103835608
3-amino-4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242953
2-[4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenyl]acetic acid
CID 106244692
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (CID 90523077) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is CSCC(C)(O)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The InChIKey is OSDYLXDHJVPENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-10(13,8-16-2)7-12-17(14,15)9-4-3-5-11-6-9/h3-6,12-13H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 90523077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).