6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane

C10H20N2O2S — CID 170420614

IUPAC6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)N1CC2(C1)CN(S(C)(=O)=O)C2
InChIInChI=1S/C10H20N2O2S/c1-9(2,3)11-5-10(6-11)7-12(8-10)15(4,13)14/h5-8H2,1-4H3
InChIKeyLBODGDKTZOMTLL-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.36
Rot. Bonds1

About 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane

6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane (PubChem CID 170420614) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane
PubChem CID170420614
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)N1CC2(C1)CN(S(C)(=O)=O)C2
InChIInChI=1S/C10H20N2O2S/c1-9(2,3)11-5-10(6-11)7-12(8-10)15(4,13)14/h5-8H2,1-4H3
InChIKeyLBODGDKTZOMTLL-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane
CID 130670173
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
9-tert-butyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126502697
2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
CID 172511742
2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
CID 163234157
3-isocyano-3-methyl-1-methylsulfonylazetidine
CID 170936195
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylsulfonylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
CID 158737237
9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 166713434

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane (CID 170420614) is 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane is CC(C)(C)N1CC2(C1)CN(S(C)(=O)=O)C2.
What is the InChIKey of 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is LBODGDKTZOMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9(2,3)11-5-10(6-11)7-12(8-10)15(4,13)14/h5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane?
6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 232.35 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 170420614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).