tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate

C15H28N2O4S — CID 162745655

IUPACtert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
SMILESCC(C)(C)CS(=O)(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H28N2O4S/c1-13(2,3)11-22(19,20)17-9-15(10-17)7-16(8-15)12(18)21-14(4,5)6/h7-11H2,1-6H3
InChIKeyCDYAHPFIPUFNNI-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate

tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate (PubChem CID 162745655) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
PubChem CID162745655
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
SMILESCC(C)(C)CS(=O)(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H28N2O4S/c1-13(2,3)11-22(19,20)17-9-15(10-17)7-16(8-15)12(18)21-14(4,5)6/h7-11H2,1-6H3
InChIKeyCDYAHPFIPUFNNI-UHFFFAOYSA-N
XLogP1.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172586842
CID 176582761
CID 176582761
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163275541
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 3-(hydroxymethyl)-3-(methylamino)azetidine-1-carboxylate
CID 130606000
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
tert-butyl 3-ethyl-3-methylsulfonyloxyazetidine-1-carboxylate
CID 156653276
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169161321

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate?
The IUPAC name of tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate (CID 162745655) is tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate?
The canonical SMILES for tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate is CC(C)(C)CS(=O)(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate?
The InChIKey is CDYAHPFIPUFNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-13(2,3)11-22(19,20)17-9-15(10-17)7-16(8-15)12(18)21-14(4,5)6/h7-11H2,1-6H3.
What are the key properties of tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate?
tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate has a molecular weight of 332.47 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate is sourced from PubChem (CID 162745655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).