N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C17H27N3O2S — CID 119993621

IUPACN-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H27N3O2S/c1-2-12-20(17-7-10-18-11-8-17)23(21,22)19-13-9-15-5-3-4-6-16(15)14-19/h3-6,17-18H,2,7-14H2,1H3
InChIKeyLAYVSAFRXLIBJG-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.75
Rot. Bonds5

About N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 119993621) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID119993621
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H27N3O2S/c1-2-12-20(17-7-10-18-11-8-17)23(21,22)19-13-9-15-5-3-4-6-16(15)14-19/h3-6,17-18H,2,7-14H2,1H3
InChIKeyLAYVSAFRXLIBJG-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 102675892
N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 63298216
N-(azetidin-3-yl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 66186857
4-methyl-N-piperidin-4-yl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 119994154
N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride
CID 119994019
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
N-butyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 61448473
2-pyrrolidin-3-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 65419388
2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride
CID 119993696
1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
CID 119994113
2-piperidin-4-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 63153494
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 119993621) is N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is LAYVSAFRXLIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-2-12-20(17-7-10-18-11-8-17)23(21,22)19-13-9-15-5-3-4-6-16(15)14-19/h3-6,17-18H,2,7-14H2,1H3.
What are the key properties of N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 119993621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).