(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine

C14H21N3O2S — CID 102977640

IUPAC(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C14H21N3O2S/c15-14-6-3-8-16(11-14)20(18,19)17-9-7-12-4-1-2-5-13(12)10-17/h1-2,4-5,14H,3,6-11,15H2/t14-/m1/s1
InChIKeyIYUSMFYEKGTWTH-CQSZACIVSA-N
MW295.41 g/mol
LogP0.71
Rot. Bonds2

About (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine

(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine (PubChem CID 102977640) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine
PubChem CID102977640
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C14H21N3O2S/c15-14-6-3-8-16(11-14)20(18,19)17-9-7-12-4-1-2-5-13(12)10-17/h1-2,4-5,14H,3,6-11,15H2/t14-/m1/s1
InChIKeyIYUSMFYEKGTWTH-CQSZACIVSA-N
XLogP0.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
CID 119968825
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
N-[(3S)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]acetamide
CID 97313149
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
3-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidin-3-yl]propanoic acid
CID 146075541
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
2-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121153744
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 51077690

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine (CID 102977640) is (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine is N[C@@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine?
The InChIKey is IYUSMFYEKGTWTH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-14-6-3-8-16(11-14)20(18,19)17-9-7-12-4-1-2-5-13(12)10-17/h1-2,4-5,14H,3,6-11,15H2/t14-/m1/s1.
What are the key properties of (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine?
(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine has a molecular weight of 295.41 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 102977640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).