N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide

C14H28N2O3S — CID 126502692

IUPACN-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1COC2(CCN(C(C)(C)C)CC2)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-13(2,3)16-8-6-14(7-9-16)10-12(11-19-14)15(4)20(5,17)18/h12H,6-11H2,1-5H3
InChIKeyOIUWESPEWLBNOT-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.30
Rot. Bonds2

About N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide

N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide (PubChem CID 126502692) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide
PubChem CID126502692
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1COC2(CCN(C(C)(C)C)CC2)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-13(2,3)16-8-6-14(7-9-16)10-12(11-19-14)15(4)20(5,17)18/h12H,6-11H2,1-5H3
InChIKeyOIUWESPEWLBNOT-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide (CID 126502692) is N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide is CN(C1COC2(CCN(C(C)(C)C)CC2)C1)S(C)(=O)=O.
What is the InChIKey of N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide?
The InChIKey is OIUWESPEWLBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-13(2,3)16-8-6-14(7-9-16)10-12(11-19-14)15(4)20(5,17)18/h12H,6-11H2,1-5H3.
What are the key properties of N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide?
N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 126502692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).