N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide

C18H22N2O3S — CID 126422665

IUPACN-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide
SMILESCO[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc3cccnc23)C12CCC2
InChIInChI=1S/C18H22N2O3S/c1-23-16-11-15(18(16)8-4-9-18)20-24(21,22)12-14-6-2-5-13-7-3-10-19-17(13)14/h2-3,5-7,10,15-16,20H,4,8-9,11-12H2,1H3/t15-,16+/m1/s1
InChIKeySRFGNXDAUVKDBV-CVEARBPZSA-N
MW346.45 g/mol
LogP2.61
Rot. Bonds5

About N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide

N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide (PubChem CID 126422665) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide
PubChem CID126422665
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide
SMILESCO[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc3cccnc23)C12CCC2
InChIInChI=1S/C18H22N2O3S/c1-23-16-11-15(18(16)8-4-9-18)20-24(21,22)12-14-6-2-5-13-7-3-10-19-17(13)14/h2-3,5-7,10,15-16,20H,4,8-9,11-12H2,1H3/t15-,16+/m1/s1
InChIKeySRFGNXDAUVKDBV-CVEARBPZSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
CID 119960786
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-quinolin-8-ylmethanesulfonamide
CID 129425381
N-(quinolin-8-ylmethylsulfonyl)cyclopropanecarboxamide
CID 155945521
N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
CID 119974476
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743
N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
CID 119983405
N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
CID 65294575
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 75433584

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide (CID 126422665) is N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide is CO[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc3cccnc23)C12CCC2.
What is the InChIKey of N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide?
The InChIKey is SRFGNXDAUVKDBV-CVEARBPZSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-16-11-15(18(16)8-4-9-18)20-24(21,22)12-14-6-2-5-13-7-3-10-19-17(13)14/h2-3,5-7,10,15-16,20H,4,8-9,11-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide?
N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 126422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).