1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide

C13H24N2O3S — CID 135238150

IUPAC1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
SMILESCN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H24N2O3S/c1-15(19(16,17)10-11-2-3-11)12-8-13(18-9-12)4-6-14-7-5-13/h11-12,14H,2-10H2,1H3/t12-/m1/s1
InChIKeyCSTOWKKJPYCVNF-GFCCVEGCSA-N
MW288.41 g/mol
LogP0.57
Rot. Bonds4

About 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide

1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide (PubChem CID 135238150) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
PubChem CID135238150
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
SMILESCN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H24N2O3S/c1-15(19(16,17)10-11-2-3-11)12-8-13(18-9-12)4-6-14-7-5-13/h11-12,14H,2-10H2,1H3/t12-/m1/s1
InChIKeyCSTOWKKJPYCVNF-GFCCVEGCSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide (CID 135238150) is 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide is CN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The InChIKey is CSTOWKKJPYCVNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-15(19(16,17)10-11-2-3-11)12-8-13(18-9-12)4-6-14-7-5-13/h11-12,14H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide is sourced from PubChem (CID 135238150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).