N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C16H25N3O2S — CID 95204803

IUPACN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN1CCC[C@@H](CNS(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C16H25N3O2S/c1-18-9-4-5-14(12-18)11-17-22(20,21)19-10-8-15-6-2-3-7-16(15)13-19/h2-3,6-7,14,17H,4-5,8-13H2,1H3/t14-/m0/s1
InChIKeyGCJCGBOMDQHBEQ-AWEZNQCLSA-N
MW323.46 g/mol
LogP1.22
Rot. Bonds4

About N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 95204803) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID95204803
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN1CCC[C@@H](CNS(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C16H25N3O2S/c1-18-9-4-5-14(12-18)11-17-22(20,21)19-10-8-15-6-2-3-7-16(15)13-19/h2-3,6-7,14,17H,4-5,8-13H2,1H3/t14-/m0/s1
InChIKeyGCJCGBOMDQHBEQ-AWEZNQCLSA-N
XLogP1.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline-2-sulfonamide
CID 14787907
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine
CID 40742
2-(2-Methylbenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921543
Wy 27127
CID 125697
2-Methyl-1-(piperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 662997
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide
CID 6923554
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 11674602
N-[(1,3,4,6,7,11bbeta-Hexahydro-2H-benzo[a]quinolizin)-2alpha-yl]-N-methyl-1-propanesulfonamide
CID 12783216
CID 14107006
CID 14107006
(8aR,12aS,13aS)-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307672
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]benzenesulfonamide
CID 23111951
N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-methylsulfonylamino]ethyl]-N-methylmethanesulfonamide
CID 44296444

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 95204803) is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CN1CCC[C@@H](CNS(=O)(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is GCJCGBOMDQHBEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-18-9-4-5-14(12-18)11-17-22(20,21)19-10-8-15-6-2-3-7-16(15)13-19/h2-3,6-7,14,17H,4-5,8-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 323.46 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 95204803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).