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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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).