N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide

C15H20N2O3S — CID 103835307

IUPACN-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H20N2O3S/c1-3-8-15(2,18)11-17-21(19,20)14-6-4-5-12-10-16-9-7-13(12)14/h4-7,9-10,17-18H,3,8,11H2,1-2H3
InChIKeyFPDCXGHCMGLIKT-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.06
Rot. Bonds6

About N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide

N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide (PubChem CID 103835307) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide
PubChem CID103835307
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H20N2O3S/c1-3-8-15(2,18)11-17-21(19,20)14-6-4-5-12-10-16-9-7-13(12)14/h4-7,9-10,17-18H,3,8,11H2,1-2H3
InChIKeyFPDCXGHCMGLIKT-UHFFFAOYSA-N
XLogP2.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
N-(4-hydroxy-2,2-dimethylpentyl)isoquinoline-5-sulfonamide
CID 84599044
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
CID 25040448
N-(1-bromo-3-methylpentan-3-yl)isoquinoline-5-sulfonamide
CID 106169935
2-(isoquinolin-5-ylsulfonylamino)-2-methylpropanoic acid
CID 61263233
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
3-(isoquinolin-5-ylsulfonylamino)-2-methylpropanethioamide
CID 62667668
(2R)-2-(isoquinolin-5-ylsulfonylamino)pentanoic acid
CID 104935427
2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide
CID 71132062
N-[(2,6-dimethoxyphenyl)methyl]isoquinoline-5-sulfonamide
CID 25036128
N-(3-cyanopropyl)isoquinoline-5-sulfonamide
CID 55102562

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide (CID 103835307) is N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide is CCCC(C)(O)CNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide?
The InChIKey is FPDCXGHCMGLIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-8-15(2,18)11-17-21(19,20)14-6-4-5-12-10-16-9-7-13(12)14/h4-7,9-10,17-18H,3,8,11H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide?
N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 103835307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).