3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide

C13H26N2O3S — CID 139462894

IUPAC3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide
SMILESCC(C)C(C)S(=O)(=O)N[C@H]1COC2(CCNCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)11(3)19(16,17)15-12-8-13(18-9-12)4-6-14-7-5-13/h10-12,14-15H,4-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyYWKBELCPSSVDIY-PIJUOVFKSA-N
MW290.43 g/mol
LogP0.86
Rot. Bonds4

About 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide

3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide (PubChem CID 139462894) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide
PubChem CID139462894
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide
SMILESCC(C)C(C)S(=O)(=O)N[C@H]1COC2(CCNCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)11(3)19(16,17)15-12-8-13(18-9-12)4-6-14-7-5-13/h10-12,14-15H,4-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyYWKBELCPSSVDIY-PIJUOVFKSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide?
The IUPAC name of 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide (CID 139462894) is 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide?
The canonical SMILES for 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide is CC(C)C(C)S(=O)(=O)N[C@H]1COC2(CCNCC2)C1.
What is the InChIKey of 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide?
The InChIKey is YWKBELCPSSVDIY-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10(2)11(3)19(16,17)15-12-8-13(18-9-12)4-6-14-7-5-13/h10-12,14-15H,4-9H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide?
3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide is sourced from PubChem (CID 139462894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).