N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine

C16H21N3O2S — CID 119960917

IUPACN-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H21N3O2S/c1-17-11-13-5-4-10-19(12-13)22(20,21)15-8-2-6-14-7-3-9-18-16(14)15/h2-3,6-9,13,17H,4-5,10-12H2,1H3
InChIKeyHGWWHIAARLMVAA-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine

N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine (PubChem CID 119960917) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
PubChem CID119960917
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H21N3O2S/c1-17-11-13-5-4-10-19(12-13)22(20,21)15-8-2-6-14-7-3-9-18-16(14)15/h2-3,6-9,13,17H,4-5,10-12H2,1H3
InChIKeyHGWWHIAARLMVAA-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 124684923
N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119977908
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
1-[(3R)-1-(2-chloro-3-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688243
3-cyclopropyl-5-[(1-quinolin-8-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90641757
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine (CID 119960917) is N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine is CNCC1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine?
The InChIKey is HGWWHIAARLMVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-17-11-13-5-4-10-19(12-13)22(20,21)15-8-2-6-14-7-3-9-18-16(14)15/h2-3,6-9,13,17H,4-5,10-12H2,1H3.
What are the key properties of N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine?
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine has a molecular weight of 319.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine is sourced from PubChem (CID 119960917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).