N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide

C17H26N2O3S — CID 56792515

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide
SMILESCC(C)(CNS(=O)(=O)C1CCOC1)N1CCc2ccccc2C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,13-18-23(20,21)16-8-10-22-12-16)19-9-7-14-5-3-4-6-15(14)11-19/h3-6,16,18H,7-13H2,1-2H3
InChIKeyWFUCQTPNPATLRD-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.53
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide (PubChem CID 56792515) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide
PubChem CID56792515
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide
SMILESCC(C)(CNS(=O)(=O)C1CCOC1)N1CCc2ccccc2C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,13-18-23(20,21)16-8-10-22-12-16)19-9-7-14-5-3-4-6-15(14)11-19/h3-6,16,18H,7-13H2,1-2H3
InChIKeyWFUCQTPNPATLRD-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide (CID 56792515) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide is CC(C)(CNS(=O)(=O)C1CCOC1)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide?
The InChIKey is WFUCQTPNPATLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,13-18-23(20,21)16-8-10-22-12-16)19-9-7-14-5-3-4-6-15(14)11-19/h3-6,16,18H,7-13H2,1-2H3.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]oxolane-3-sulfonamide is sourced from PubChem (CID 56792515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).