N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

C13H24N2O4S — CID 97475258

IUPACN-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCCC(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1
InChIInChI=1S/C13H24N2O4S/c1-3-12(16)15-8-7-13(10-15)6-4-5-11(19-13)9-14-20(2,17)18/h11,14H,3-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyRXMIIPKXAQROIJ-WCQYABFASA-N
MW304.41 g/mol
LogP0.49
Rot. Bonds4

About N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (PubChem CID 97475258) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
PubChem CID97475258
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCCC(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1
InChIInChI=1S/C13H24N2O4S/c1-3-12(16)15-8-7-13(10-15)6-4-5-11(19-13)9-14-20(2,17)18/h11,14H,3-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyRXMIIPKXAQROIJ-WCQYABFASA-N
XLogP0.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (CID 97475258) is N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is CCC(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1.
What is the InChIKey of N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The InChIKey is RXMIIPKXAQROIJ-WCQYABFASA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-3-12(16)15-8-7-13(10-15)6-4-5-11(19-13)9-14-20(2,17)18/h11,14H,3-10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97475258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).