(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine

C16H21N3O2S — CID 125118643

IUPAC(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
SMILESC[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C16H21N3O2S/c1-12(17)15-8-2-3-11-19(15)22(20,21)16-9-4-7-14-13(16)6-5-10-18-14/h4-7,9-10,12,15H,2-3,8,11,17H2,1H3/t12-,15-/m1/s1
InChIKeyHUKNBFBIFWFDSQ-IUODEOHRSA-N
MW319.43 g/mol
LogP2.13
Rot. Bonds3

About (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine

(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine (PubChem CID 125118643) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
PubChem CID125118643
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
SMILESC[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C16H21N3O2S/c1-12(17)15-8-2-3-11-19(15)22(20,21)16-9-4-7-14-13(16)6-5-10-18-14/h4-7,9-10,12,15H,2-3,8,11,17H2,1H3/t12-,15-/m1/s1
InChIKeyHUKNBFBIFWFDSQ-IUODEOHRSA-N
XLogP2.13
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965286
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
CID 119965289
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120999580
1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255176
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
[2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999660
5-(4-bromopiperidin-1-yl)sulfonylquinoline
CID 104774213

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine (CID 125118643) is (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine is C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine?
The InChIKey is HUKNBFBIFWFDSQ-IUODEOHRSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12(17)15-8-2-3-11-19(15)22(20,21)16-9-4-7-14-13(16)6-5-10-18-14/h4-7,9-10,12,15H,2-3,8,11,17H2,1H3/t12-,15-/m1/s1.
What are the key properties of (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine?
(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine has a molecular weight of 319.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 125118643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).