N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide

C12H22N2O5S — CID 110159553

IUPACN-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
SMILESCO[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@]12CCCO2
InChIInChI=1S/C12H22N2O5S/c1-18-10-9-14(11(15)8-13-20(2,16)17)6-5-12(10)4-3-7-19-12/h10,13H,3-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyQSXDLUXXWYPEFP-JQWIXIFHSA-N
MW306.38 g/mol
LogP-0.67
Rot. Bonds4

About N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide

N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 110159553) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
PubChem CID110159553
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
SMILESCO[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@]12CCCO2
InChIInChI=1S/C12H22N2O5S/c1-18-10-9-14(11(15)8-13-20(2,16)17)6-5-12(10)4-3-7-19-12/h10,13H,3-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyQSXDLUXXWYPEFP-JQWIXIFHSA-N
XLogP-0.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide (CID 110159553) is N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide is CO[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@]12CCCO2.
What is the InChIKey of N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is QSXDLUXXWYPEFP-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-18-10-9-14(11(15)8-13-20(2,16)17)6-5-12(10)4-3-7-19-12/h10,13H,3-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 306.38 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 110159553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).