5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane

C12H24N2O2S — CID 163234157

IUPAC5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CCN(S(C)(=O)=O)CC12CCC2
InChIInChI=1S/C12H24N2O2S/c1-11(2,3)14-9-8-13(17(4,15)16)10-12(14)6-5-7-12/h5-10H2,1-4H3
InChIKeyYAANUNDYOMLZFP-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.28
Rot. Bonds1

About 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane

5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane (PubChem CID 163234157) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
PubChem CID163234157
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CCN(S(C)(=O)=O)CC12CCC2
InChIInChI=1S/C12H24N2O2S/c1-11(2,3)14-9-8-13(17(4,15)16)10-12(14)6-5-7-12/h5-10H2,1-4H3
InChIKeyYAANUNDYOMLZFP-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane
CID 153061234
1-tert-butyl-1-azaspiro[3.5]nonane
CID 118157692
6-methylsulfonyl-1,6-diazaspiro[3.3]heptane-1-carbaldehyde
CID 152706612
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
9-tert-butyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126502697
6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane
CID 170420614
2,2-ditert-butyl-4-methylsulfonylmorpholine
CID 140924945
9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 166713434
4-methyl-1-methylsulfonyl-4-(trifluoromethyl)azepane
CID 91434914
8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
CID 164922505
2-(benzenesulfonyl)-1'-methylsulfonylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]
CID 134789065

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane?
The IUPAC name of 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane (CID 163234157) is 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane?
The canonical SMILES for 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane is CC(C)(C)N1CCN(S(C)(=O)=O)CC12CCC2.
What is the InChIKey of 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane?
The InChIKey is YAANUNDYOMLZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(2,3)14-9-8-13(17(4,15)16)10-12(14)6-5-7-12/h5-10H2,1-4H3.
What are the key properties of 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane?
5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane has a molecular weight of 260.40 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 163234157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).