1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine

C15H23N3O2S — CID 62536947

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H23N3O2S/c1-16-15-7-4-9-17(12-15)21(19,20)18-10-8-13-5-2-3-6-14(13)11-18/h2-3,5-6,15-16H,4,7-12H2,1H3
InChIKeyHGENQISBBCUNDD-UHFFFAOYSA-N
MW309.43 g/mol
LogP0.97
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine

1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine (PubChem CID 62536947) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine
PubChem CID62536947
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H23N3O2S/c1-16-15-7-4-9-17(12-15)21(19,20)18-10-8-13-5-2-3-6-14(13)11-18/h2-3,5-6,15-16H,4,7-12H2,1H3
InChIKeyHGENQISBBCUNDD-UHFFFAOYSA-N
XLogP0.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]acetamide
CID 97313149
(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine
CID 102977640
[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
CID 119968825
1-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976170
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119989110
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine
CID 51076359
2-[[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 129461289
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 119958944
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 95204803
3-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidin-3-yl]propanoic acid
CID 146075541
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine (CID 62536947) is 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine?
The InChIKey is HGENQISBBCUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-16-15-7-4-9-17(12-15)21(19,20)18-10-8-13-5-2-3-6-14(13)11-18/h2-3,5-6,15-16H,4,7-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine?
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpiperidin-3-amine has a molecular weight of 309.43 g/mol, XLogP of 0.97, 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)-N-methylpiperidin-3-amine is sourced from PubChem (CID 62536947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).