N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide

C15H22N2O3S — CID 16929978

IUPACN-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)CN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H22N2O3S/c1-3-4-5-15(18)16-14-7-6-12-8-9-17(21(2,19)20)11-13(12)10-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyLYLDHPCPUKOZMW-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.13
Rot. Bonds5

About N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide

N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide (PubChem CID 16929978) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide.

Molecular Properties

Compound NameN-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide
PubChem CID16929978
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)CN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H22N2O3S/c1-3-4-5-15(18)16-14-7-6-12-8-9-17(21(2,19)20)11-13(12)10-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyLYLDHPCPUKOZMW-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 16929997
1-tert-butyl-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 110664308
3-bromo-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930045
2-(3-fluorophenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16930094
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930034
3-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930082
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
methyl N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamate
CID 16931048
3-chloro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930051
ethyl N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamate
CID 16930887
2-(4-ethoxyphenoxy)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16930954
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-thiophen-2-ylacetamide
CID 16930865

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide?
The IUPAC name of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide (CID 16929978) is N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide.
What is the SMILES notation for N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide?
The canonical SMILES for N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide is CCCCC(=O)Nc1ccc2c(c1)CN(S(C)(=O)=O)CC2.
What is the InChIKey of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide?
The InChIKey is LYLDHPCPUKOZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-4-5-15(18)16-14-7-6-12-8-9-17(21(2,19)20)11-13(12)10-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide?
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide has a molecular weight of 310.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide is sourced from PubChem (CID 16929978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).