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

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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).