N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

C16H21ClN2O4S — CID 133142384

IUPACN-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCOC12CN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H21ClN2O4S/c1-24(21,22)18-8-6-13-7-9-23-16(13)10-19(11-16)15(20)12-2-4-14(17)5-3-12/h2-5,13,18H,6-11H2,1H3
InChIKeyWXMMTBYFEZNKKF-UHFFFAOYSA-N
MW372.87 g/mol
LogP1.51
Rot. Bonds5

About N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (PubChem CID 133142384) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
PubChem CID133142384
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC NameN-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCOC12CN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H21ClN2O4S/c1-24(21,22)18-8-6-13-7-9-23-16(13)10-19(11-16)15(20)12-2-4-14(17)5-3-12/h2-5,13,18H,6-11H2,1H3
InChIKeyWXMMTBYFEZNKKF-UHFFFAOYSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131655373
N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 124783932
N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133139867
N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133139860
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133140449
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131662219
[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 124792526
N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 71251914
(3-chloro-4-fluorophenyl)-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124870354
N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide
CID 131691995
(3-fluoro-4-methylphenyl)-[8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658166
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131663288

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (CID 133142384) is N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCOC12CN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The InChIKey is WXMMTBYFEZNKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-24(21,22)18-8-6-13-7-9-23-16(13)10-19(11-16)15(20)12-2-4-14(17)5-3-12/h2-5,13,18H,6-11H2,1H3.
What are the key properties of N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide has a molecular weight of 372.87 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 133142384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).