tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate

C13H24N2O6S — CID 165444330

IUPACtert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(COCC(CS(N)(=O)=O)O2)C1
InChIInChI=1S/C13H24N2O6S/c1-12(2,3)21-11(16)15-5-4-13(8-15)9-19-6-10(20-13)7-22(14,17)18/h10H,4-9H2,1-3H3,(H2,14,17,18)
InChIKeyIPVFDWNOKVGVGK-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.07
Rot. Bonds2

About tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 165444330) has the molecular formula C13H24N2O6S and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID165444330
Molecular FormulaC13H24N2O6S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Nametert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(COCC(CS(N)(=O)=O)O2)C1
InChIInChI=1S/C13H24N2O6S/c1-12(2,3)21-11(16)15-5-4-13(8-15)9-19-6-10(20-13)7-22(14,17)18/h10H,4-9H2,1-3H3,(H2,14,17,18)
InChIKeyIPVFDWNOKVGVGK-UHFFFAOYSA-N
XLogP0.07
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 7-(iodomethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
CID 154828517
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490
tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 121229920
tert-butyl 7-(iodomethyl)-6-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 121229816
9-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylic acid
CID 146050262
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807
tert-butyl 6-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 122164280
tert-butyl 2-(bromomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 138987543
tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 71565256
tert-butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 71762894
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl 3-(ethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170119756

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate (CID 165444330) is tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(COCC(CS(N)(=O)=O)O2)C1.
What is the InChIKey of tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is IPVFDWNOKVGVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6S/c1-12(2,3)21-11(16)15-5-4-13(8-15)9-19-6-10(20-13)7-22(14,17)18/h10H,4-9H2,1-3H3,(H2,14,17,18).
What are the key properties of tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 165444330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).