1-methylsulfonyl-1,8-diazaspiro[5.5]undecane

C10H20N2O2S — CID 121229647

IUPAC1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCCCC12CCCNC2
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-5-10(12)6-4-7-11-9-10/h11H,2-9H2,1H3
InChIKeyLZNSRSXXAHGXPY-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.55
Rot. Bonds1

About 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane

1-methylsulfonyl-1,8-diazaspiro[5.5]undecane (PubChem CID 121229647) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
PubChem CID121229647
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCCCC12CCCNC2
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-5-10(12)6-4-7-11-9-10/h11H,2-9H2,1H3
InChIKeyLZNSRSXXAHGXPY-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane 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

1,4-diazaspiro[5.5]undecane-1-sulfonamide
CID 114959377
ethane;1-methyl-1,8-diazaspiro[3.5]nonane
CID 156845056
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
(4S)-N-methyl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 97399273
1-methyl-1,4-diazaspiro[5.5]undecane
CID 20761876
5-methyl-2,5-diazaspiro[3.41]pentatetracontane
CID 134587859
2-iodo-2-methyl-1-methylsulfonylpyrrolidine
CID 126631454
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981
3-methylsulfonylpiperidine-3-carbonitrile
CID 169170088
2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
CID 65460556

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The IUPAC name of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane (CID 121229647) is 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane is CS(=O)(=O)N1CCCCC12CCCNC2.
What is the InChIKey of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The InChIKey is LZNSRSXXAHGXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-5-10(12)6-4-7-11-9-10/h11H,2-9H2,1H3.
What are the key properties of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
1-methylsulfonyl-1,8-diazaspiro[5.5]undecane has a molecular weight of 232.35 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 121229647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).