N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide

C12H22N2O3S — CID 126506394

IUPACN-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
SMILESCN([C@@H]1COC2(CCNCC2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-14(18(15,16)11-2-3-11)10-8-12(17-9-10)4-6-13-7-5-12/h10-11,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyBWGKHDMRIQDSEL-JTQLQIEISA-N
MW274.39 g/mol
LogP0.32
Rot. Bonds3

About N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide

N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide (PubChem CID 126506394) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
PubChem CID126506394
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
SMILESCN([C@@H]1COC2(CCNCC2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-14(18(15,16)11-2-3-11)10-8-12(17-9-10)4-6-13-7-5-12/h10-11,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyBWGKHDMRIQDSEL-JTQLQIEISA-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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide (CID 126506394) is N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide is CN([C@@H]1COC2(CCNCC2)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide?
The InChIKey is BWGKHDMRIQDSEL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14(18(15,16)11-2-3-11)10-8-12(17-9-10)4-6-13-7-5-12/h10-11,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide?
N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-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-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 126506394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).