N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride

C16H22ClN3O2S — CID 119977908

IUPACN-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)Cc2cccc3cccnc23)C1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-17-10-13-7-9-19(11-13)22(20,21)12-15-5-2-4-14-6-3-8-18-16(14)15;/h2-6,8,13,17H,7,9-12H2,1H3;1H
InChIKeyLRYMBMRUKATJMD-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119977908) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119977908
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)Cc2cccc3cccnc23)C1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-17-10-13-7-9-19(11-13)22(20,21)12-15-5-2-4-14-6-3-8-18-16(14)15;/h2-6,8,13,17H,7,9-12H2,1H3;1H
InChIKeyLRYMBMRUKATJMD-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline
CID 124951511
1-[1-(8-methoxyquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 154864069
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 124684923
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
CID 86969762
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-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 119977908) is N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride is CNCC1CCN(S(=O)(=O)Cc2cccc3cccnc23)C1.Cl.
What is the InChIKey of N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is LRYMBMRUKATJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-17-10-13-7-9-19(11-13)22(20,21)12-15-5-2-4-14-6-3-8-18-16(14)15;/h2-6,8,13,17H,7,9-12H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.03, 5 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-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119977908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).