1-isoquinolin-1-ylsulfonylpiperidin-4-amine

C14H17N3O2S — CID 67657843

IUPAC1-isoquinolin-1-ylsulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2nccc3ccccc23)CC1
InChIInChI=1S/C14H17N3O2S/c15-12-6-9-17(10-7-12)20(18,19)14-13-4-2-1-3-11(13)5-8-16-14/h1-5,8,12H,6-7,9-10,15H2
InChIKeyNBXPNVNVWPAQAI-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.35
Rot. Bonds2

About 1-isoquinolin-1-ylsulfonylpiperidin-4-amine

1-isoquinolin-1-ylsulfonylpiperidin-4-amine (PubChem CID 67657843) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-isoquinolin-1-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-isoquinolin-1-ylsulfonylpiperidin-4-amine
PubChem CID67657843
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-isoquinolin-1-ylsulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2nccc3ccccc23)CC1
InChIInChI=1S/C14H17N3O2S/c15-12-6-9-17(10-7-12)20(18,19)14-13-4-2-1-3-11(13)5-8-16-14/h1-5,8,12H,6-7,9-10,15H2
InChIKeyNBXPNVNVWPAQAI-UHFFFAOYSA-N
XLogP1.35
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
isoquinoline-1-sulfonyl chloride;hydrochloride
CID 19796336
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
[2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-pyridinyl]hydrazine
CID 103301600
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779236
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
[2-(4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103300836
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-ylsulfonylpiperidin-4-amine?
The IUPAC name of 1-isoquinolin-1-ylsulfonylpiperidin-4-amine (CID 67657843) is 1-isoquinolin-1-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for 1-isoquinolin-1-ylsulfonylpiperidin-4-amine?
The canonical SMILES for 1-isoquinolin-1-ylsulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2nccc3ccccc23)CC1.
What is the InChIKey of 1-isoquinolin-1-ylsulfonylpiperidin-4-amine?
The InChIKey is NBXPNVNVWPAQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-12-6-9-17(10-7-12)20(18,19)14-13-4-2-1-3-11(13)5-8-16-14/h1-5,8,12H,6-7,9-10,15H2.
What are the key properties of 1-isoquinolin-1-ylsulfonylpiperidin-4-amine?
1-isoquinolin-1-ylsulfonylpiperidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 67657843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).