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

C15H19N3O2S — CID 119977492

IUPACN-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCNCC1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C15H19N3O2S/c1-16-10-12-7-9-18(11-12)21(19,20)14-6-2-4-13-5-3-8-17-15(13)14/h2-6,8,12,16H,7,9-11H2,1H3
InChIKeyIKDAYRBFROGITB-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.46
Rot. Bonds4

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

N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 119977492) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID119977492
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCNCC1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C15H19N3O2S/c1-16-10-12-7-9-18(11-12)21(19,20)14-6-2-4-13-5-3-8-17-15(13)14/h2-6,8,12,16H,7,9-11H2,1H3
InChIKeyIKDAYRBFROGITB-UHFFFAOYSA-N
XLogP1.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
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
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
1-[1-(8-methoxyquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 154864069
1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263791
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
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
methyl 2-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 63264152

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine (CID 119977492) is N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine is CNCC1CCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is IKDAYRBFROGITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-10-12-7-9-18(11-12)21(19,20)14-6-2-4-13-5-3-8-17-15(13)14/h2-6,8,12,16H,7,9-11H2,1H3.
What are the key properties of N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine?
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 305.40 g/mol, XLogP of 1.46, 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-ylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 119977492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).