N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide

C15H24N2O3S — CID 75431193

IUPACN-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
SMILESCCCOc1ccc2c(c1)CCN(CCNS(C)(=O)=O)C2
InChIInChI=1S/C15H24N2O3S/c1-3-10-20-15-5-4-14-12-17(8-6-13(14)11-15)9-7-16-21(2,18)19/h4-5,11,16H,3,6-10,12H2,1-2H3
InChIKeySTGJYQUWHHHPHB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.38
Rot. Bonds7

About N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide

N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide (PubChem CID 75431193) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
PubChem CID75431193
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
SMILESCCCOc1ccc2c(c1)CCN(CCNS(C)(=O)=O)C2
InChIInChI=1S/C15H24N2O3S/c1-3-10-20-15-5-4-14-12-17(8-6-13(14)11-15)9-7-16-21(2,18)19/h4-5,11,16H,3,6-10,12H2,1-2H3
InChIKeySTGJYQUWHHHPHB-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[4-(4-butylphenyl)phenyl]propoxy]-2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinoline
CID 59158831
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 133394692
2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 86814768
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine
CID 142171757
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
3-methyl-5-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-thiadiazole
CID 133394788
2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
CID 120993189
N-methyl-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 142067783
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propane-2-sulfonamide
CID 47371840

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide (CID 75431193) is N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide is CCCOc1ccc2c(c1)CCN(CCNS(C)(=O)=O)C2.
What is the InChIKey of N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
The InChIKey is STGJYQUWHHHPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-10-20-15-5-4-14-12-17(8-6-13(14)11-15)9-7-16-21(2,18)19/h4-5,11,16H,3,6-10,12H2,1-2H3.
What are the key properties of N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide?
N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 75431193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).