tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

C12H23N3O4S — CID 163275541

IUPACtert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCN(C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)S(N)(=O)=O
InChIInChI=1S/C12H23N3O4S/c1-11(2,3)19-10(16)15-7-12(8-15)5-9(6-12)14(4)20(13,17)18/h9H,5-8H2,1-4H3,(H2,13,17,18)
InChIKeyWQJGWHVOLZYQJA-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.52
Rot. Bonds2

About tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 163275541) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID163275541
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Nametert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCN(C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)S(N)(=O)=O
InChIInChI=1S/C12H23N3O4S/c1-11(2,3)19-10(16)15-7-12(8-15)5-9(6-12)14(4)20(13,17)18/h9H,5-8H2,1-4H3,(H2,13,17,18)
InChIKeyWQJGWHVOLZYQJA-UHFFFAOYSA-N
XLogP0.52
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163274863
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 6-[ethyl-(methylideneamino)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 156792254
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 6-[(2-bromoacetyl)-[1-(2-hydroxyphenyl)ethyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170160818
bis(tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 164886537
tert-butyl 6-(2-methylhydrazinyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 156512590
tert-butyl 6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 171533050
tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163275338
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl (7S)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 167108536

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (CID 163275541) is tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is CN(C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)S(N)(=O)=O.
What is the InChIKey of tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is WQJGWHVOLZYQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-11(2,3)19-10(16)15-7-12(8-15)5-9(6-12)14(4)20(13,17)18/h9H,5-8H2,1-4H3,(H2,13,17,18).
What are the key properties of tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 163275541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).