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

C13H16N2O3S — CID 103308291

IUPACN-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1NCCc2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-13(15-19(17,18)10-5-6-10)12-11-4-2-1-3-9(11)7-8-14-12/h1-4,10,12,14H,5-8H2,(H,15,16)
InChIKeyAQQFZZDVRKQXNY-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.48
Rot. Bonds3

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

N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 103308291) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID103308291
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1NCCc2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-13(15-19(17,18)10-5-6-10)12-11-4-2-1-3-9(11)7-8-14-12/h1-4,10,12,14H,5-8H2,(H,15,16)
InChIKeyAQQFZZDVRKQXNY-UHFFFAOYSA-N
XLogP0.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
N-but-3-yn-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 114417295
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106299027
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 79377573
N-[2-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106361368
(1R)-N-cyclopentylsulfonyl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 97047071
N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106213401

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 103308291) is N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is O=C(NS(=O)(=O)C1CC1)C1NCCc2ccccc21.
What is the InChIKey of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is AQQFZZDVRKQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-13(15-19(17,18)10-5-6-10)12-11-4-2-1-3-9(11)7-8-14-12/h1-4,10,12,14H,5-8H2,(H,15,16).
What are the key properties of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 103308291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).