N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine

C17H23N3O2S — CID 124687354

IUPACN-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
SMILESCNC[C@@H]1CCCN(S(=O)(=O)Cc2cccc3cccnc23)C1
InChIInChI=1S/C17H23N3O2S/c1-18-11-14-5-4-10-20(12-14)23(21,22)13-16-7-2-6-15-8-3-9-19-17(15)16/h2-3,6-9,14,18H,4-5,10-13H2,1H3/t14-/m0/s1
InChIKeyUSIUVOXBSUNALO-AWEZNQCLSA-N
MW333.46 g/mol
LogP2.00
Rot. Bonds5

About N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine

N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine (PubChem CID 124687354) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
PubChem CID124687354
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
SMILESCNC[C@@H]1CCCN(S(=O)(=O)Cc2cccc3cccnc23)C1
InChIInChI=1S/C17H23N3O2S/c1-18-11-14-5-4-10-20(12-14)23(21,22)13-16-7-2-6-15-8-3-9-19-17(15)16/h2-3,6-9,14,18H,4-5,10-13H2,1H3/t14-/m0/s1
InChIKeyUSIUVOXBSUNALO-AWEZNQCLSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119977908
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 119961026
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
3-amino-N-[[1-(quinolin-8-ylmethylsulfonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584606

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine (CID 124687354) is N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine is CNC[C@@H]1CCCN(S(=O)(=O)Cc2cccc3cccnc23)C1.
What is the InChIKey of N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine?
The InChIKey is USIUVOXBSUNALO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-18-11-14-5-4-10-20(12-14)23(21,22)13-16-7-2-6-15-8-3-9-19-17(15)16/h2-3,6-9,14,18H,4-5,10-13H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine?
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine has a molecular weight of 333.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 124687354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).