N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide

C13H22N2O4S — CID 124800154

IUPACN-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESCC(=O)N1CC[C@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1
InChIInChI=1S/C13H22N2O4S/c1-10(16)15-6-5-13(9-15)8-11(4-7-19-13)14-20(17,18)12-2-3-12/h11-12,14H,2-9H2,1H3/t11-,13-/m0/s1
InChIKeyLHHXAAROXQTYLH-AAEUAGOBSA-N
MW302.40 g/mol
LogP0.24
Rot. Bonds3

About N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide

N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (PubChem CID 124800154) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
PubChem CID124800154
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESCC(=O)N1CC[C@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1
InChIInChI=1S/C13H22N2O4S/c1-10(16)15-6-5-13(9-15)8-11(4-7-19-13)14-20(17,18)12-2-3-12/h11-12,14H,2-9H2,1H3/t11-,13-/m0/s1
InChIKeyLHHXAAROXQTYLH-AAEUAGOBSA-N
XLogP0.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (CID 124800154) is N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is CC(=O)N1CC[C@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1.
What is the InChIKey of N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The InChIKey is LHHXAAROXQTYLH-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(16)15-6-5-13(9-15)8-11(4-7-19-13)14-20(17,18)12-2-3-12/h11-12,14H,2-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is sourced from PubChem (CID 124800154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).