[5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine

C18H23N3O2S — CID 154871289

IUPAC[5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine
SMILESCc1ccc(S(=O)(=O)N2CC(CN)CC23CCC3)c2cccnc12
InChIInChI=1S/C18H23N3O2S/c1-13-5-6-16(15-4-2-9-20-17(13)15)24(22,23)21-12-14(11-19)10-18(21)7-3-8-18/h2,4-6,9,14H,3,7-8,10-12,19H2,1H3
InChIKeyAXZNDZJRHOUOHB-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.44
Rot. Bonds3

About [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine

[5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine (PubChem CID 154871289) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine.

Molecular Properties

Compound Name[5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine
PubChem CID154871289
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine
SMILESCc1ccc(S(=O)(=O)N2CC(CN)CC23CCC3)c2cccnc12
InChIInChI=1S/C18H23N3O2S/c1-13-5-6-16(15-4-2-9-20-17(13)15)24(22,23)21-12-14(11-19)10-18(21)7-3-8-18/h2,4-6,9,14H,3,7-8,10-12,19H2,1H3
InChIKeyAXZNDZJRHOUOHB-UHFFFAOYSA-N
XLogP2.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine with MolForge

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Related Compounds

[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849
1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine
CID 104773970
5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide
CID 119980863
3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol
CID 104774002
N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095
(3R,9aS)-3-methyl-2-(8-methylquinolin-5-yl)sulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124840984
(3S,9aS)-3-methyl-2-(8-methylquinolin-5-yl)sulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97214451
4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992673

Frequently Asked Questions

What is the IUPAC name of [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine?
The IUPAC name of [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine (CID 154871289) is [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine.
What is the SMILES notation for [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine?
The canonical SMILES for [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine is Cc1ccc(S(=O)(=O)N2CC(CN)CC23CCC3)c2cccnc12.
What is the InChIKey of [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine?
The InChIKey is AXZNDZJRHOUOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-5-6-16(15-4-2-9-20-17(13)15)24(22,23)21-12-14(11-19)10-18(21)7-3-8-18/h2,4-6,9,14H,3,7-8,10-12,19H2,1H3.
What are the key properties of [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine?
[5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine has a molecular weight of 345.47 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine is sourced from PubChem (CID 154871289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).