N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C13H18N2O3S — CID 103307530

IUPACN-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C13H18N2O3S/c1-2-7-19(17,18)15-13(16)12-8-10-5-3-4-6-11(10)9-14-12/h3-6,12,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyFXUGOIVCNDJCAG-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.56
Rot. Bonds4

About N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 103307530) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID103307530
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C13H18N2O3S/c1-2-7-19(17,18)15-13(16)12-8-10-5-3-4-6-11(10)9-14-12/h3-6,12,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyFXUGOIVCNDJCAG-UHFFFAOYSA-N
XLogP0.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103287323
N-[4-(ethylsulfonylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119282551
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(3S)-N-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 93451421
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65038594
(3S)-N-butyliodanuidyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 163941327
(3S)-N-[2-(methanesulfonamido)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896151
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63842151
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120
(3S)-N-[3-oxo-3-(propylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896424
N-[(1-propylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103798159

Frequently Asked Questions

What is the IUPAC name of N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 103307530) is N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCCS(=O)(=O)NC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is FXUGOIVCNDJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-7-19(17,18)15-13(16)12-8-10-5-3-4-6-11(10)9-14-12/h3-6,12,14H,2,7-9H2,1H3,(H,15,16).
What are the key properties of N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 103307530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).