N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide

C12H22N2O5S — CID 56765694

IUPACN-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC2(COC(C)(C)OC2)C1)S(C)(=O)=O
InChIInChI=1S/C12H22N2O5S/c1-11(2)18-8-12(9-19-11)6-14(7-12)10(15)5-13(3)20(4,16)17/h5-9H2,1-4H3
InChIKeyQQKCOGGPPBYKKM-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.51
Rot. Bonds3

About N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 56765694) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID56765694
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC2(COC(C)(C)OC2)C1)S(C)(=O)=O
InChIInChI=1S/C12H22N2O5S/c1-11(2)18-8-12(9-19-11)6-14(7-12)10(15)5-13(3)20(4,16)17/h5-9H2,1-4H3
InChIKeyQQKCOGGPPBYKKM-UHFFFAOYSA-N
XLogP-0.51
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-methylbutan-1-one
CID 90537325
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride
CID 120820193
N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 136534158
N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide
CID 90537486
2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 90537488
N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 55607982
2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 131129467
(3R,4R)-4-cyclopropyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120978126
N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 94093975
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 71789546
N-[2-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122275004
N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide
CID 121187533

Frequently Asked Questions

What is the IUPAC name of N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide (CID 56765694) is N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CC2(COC(C)(C)OC2)C1)S(C)(=O)=O.
What is the InChIKey of N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is QQKCOGGPPBYKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-11(2)18-8-12(9-19-11)6-14(7-12)10(15)5-13(3)20(4,16)17/h5-9H2,1-4H3.
What are the key properties of N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 306.38 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 56765694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).