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

C12H22N2O3S — CID 97476102

IUPACN-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESCN1CC[C@@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1
InChIInChI=1S/C12H22N2O3S/c1-14-6-5-12(9-14)8-10(4-7-17-12)13-18(15,16)11-2-3-11/h10-11,13H,2-9H2,1H3/t10-,12+/m0/s1
InChIKeyBRJLSIVJQWNYFC-CMPLNLGQSA-N
MW274.39 g/mol
LogP0.32
Rot. Bonds3

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

N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (PubChem CID 97476102) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
PubChem CID97476102
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESCN1CC[C@@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1
InChIInChI=1S/C12H22N2O3S/c1-14-6-5-12(9-14)8-10(4-7-17-12)13-18(15,16)11-2-3-11/h10-11,13H,2-9H2,1H3/t10-,12+/m0/s1
InChIKeyBRJLSIVJQWNYFC-CMPLNLGQSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[(5R,9R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420149
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97485996
N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 131691633
N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 131663425
N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 98896126
N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 98897005
N-[(5R,9R)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155856191
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124782595
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155841480
N-[(5R,9S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 127023635
N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide
CID 97475709

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (CID 97476102) is N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is CN1CC[C@@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1.
What is the InChIKey of N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The InChIKey is BRJLSIVJQWNYFC-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14-6-5-12(9-14)8-10(4-7-17-12)13-18(15,16)11-2-3-11/h10-11,13H,2-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is sourced from PubChem (CID 97476102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).