N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C15H22N2O3S — CID 102675892

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESO=S(=O)(N1CCc2ccccc2C1)N(CCO)C1CCC1
InChIInChI=1S/C15H22N2O3S/c18-11-10-17(15-6-3-7-15)21(19,20)16-9-8-13-4-1-2-5-14(13)12-16/h1-2,4-5,15,18H,3,6-12H2
InChIKeyHYTJIVJKOUDEIF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.14
Rot. Bonds5

About N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 102675892) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID102675892
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESO=S(=O)(N1CCc2ccccc2C1)N(CCO)C1CCC1
InChIInChI=1S/C15H22N2O3S/c18-11-10-17(15-6-3-7-15)21(19,20)16-9-8-13-4-1-2-5-14(13)12-16/h1-2,4-5,15,18H,3,6-12H2
InChIKeyHYTJIVJKOUDEIF-UHFFFAOYSA-N
XLogP1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 102675892) is N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is O=S(=O)(N1CCc2ccccc2C1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is HYTJIVJKOUDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-11-10-17(15-6-3-7-15)21(19,20)16-9-8-13-4-1-2-5-14(13)12-16/h1-2,4-5,15,18H,3,6-12H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 102675892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).