[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride

C15H24ClN3O2S — CID 119968825

IUPAC[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H23N3O2S.ClH/c16-10-13-4-3-8-17(11-13)21(19,20)18-9-7-14-5-1-2-6-15(14)12-18;/h1-2,5-6,13H,3-4,7-12,16H2;1H
InChIKeyPCZSJRBMOXAGHP-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.38
Rot. Bonds3

About [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride

[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119968825) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
PubChem CID119968825
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H23N3O2S.ClH/c16-10-13-4-3-8-17(11-13)21(19,20)18-9-7-14-5-1-2-6-15(14)12-18;/h1-2,5-6,13H,3-4,7-12,16H2;1H
InChIKeyPCZSJRBMOXAGHP-UHFFFAOYSA-N
XLogP1.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine
CID 102977640
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 119958944
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine
CID 62536947
3-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidin-3-yl]propanoic acid
CID 146075541
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119989110
N-[(3S)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]acetamide
CID 97313149
[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
CID 103504236
1-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976170
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
N-[2-(aminomethyl)cyclopentyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
CID 119985438

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride (CID 119968825) is [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is PCZSJRBMOXAGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c16-10-13-4-3-8-17(11-13)21(19,20)18-9-7-14-5-1-2-6-15(14)12-18;/h1-2,5-6,13H,3-4,7-12,16H2;1H.
What are the key properties of [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride?
[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119968825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).