N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine

C16H21N3O2S — CID 124684923

IUPACN-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1
InChIInChI=1S/C16H21N3O2S/c1-12-8-14-4-3-5-15(16(14)18-9-12)22(20,21)19-7-6-13(11-19)10-17-2/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPJBUJUIEBVYJPX-CYBMUJFWSA-N
MW319.43 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine

N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 124684923) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID124684923
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1
InChIInChI=1S/C16H21N3O2S/c1-12-8-14-4-3-5-15(16(14)18-9-12)22(20,21)19-7-6-13(11-19)10-17-2/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPJBUJUIEBVYJPX-CYBMUJFWSA-N
XLogP1.77
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 ≤ 51.77
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
[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
CID 110892063
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
CID 36506249
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
1-[1-(2-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120709661
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444315
3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
CID 146130519
methyl 2-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 63264152

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine (CID 124684923) is N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine is CNC[C@H]1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1.
What is the InChIKey of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is PJBUJUIEBVYJPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-8-14-4-3-5-15(16(14)18-9-12)22(20,21)19-7-6-13(11-19)10-17-2/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 319.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 124684923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).