N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

C17H26N2O4S — CID 131662219

IUPACN-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCOc1ccccc1CN1CC2(C1)OCCC2CCNS(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-22-16-6-4-3-5-14(16)11-19-12-17(13-19)15(8-10-23-17)7-9-18-24(2,20)21/h3-6,15,18H,7-13H2,1-2H3
InChIKeyZDQNDQMTPWFPHI-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.23
Rot. Bonds7

About N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (PubChem CID 131662219) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
PubChem CID131662219
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCOc1ccccc1CN1CC2(C1)OCCC2CCNS(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-22-16-6-4-3-5-14(16)11-19-12-17(13-19)15(8-10-23-17)7-9-18-24(2,20)21/h3-6,15,18H,7-13H2,1-2H3
InChIKeyZDQNDQMTPWFPHI-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 131641516
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1,2-oxazole-5-carboxamide
CID 133137467
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133140449
1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 124820278
(8S)-2-[(2-methoxyphenyl)methyl]-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124817074
2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139489
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]benzenesulfonamide
CID 131677257
N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133142384
N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133139860
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796905
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124818022
N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide
CID 124821883

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (CID 131662219) is N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is COc1ccccc1CN1CC2(C1)OCCC2CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The InChIKey is ZDQNDQMTPWFPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-22-16-6-4-3-5-14(16)11-19-12-17(13-19)15(8-10-23-17)7-9-18-24(2,20)21/h3-6,15,18H,7-13H2,1-2H3.
What are the key properties of N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 131662219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).