2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride

C9H18ClNO2S — CID 170915103

IUPAC2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride
SMILESCS(=O)(=O)C1CC2(CCNCC2)C1.Cl
InChIInChI=1S/C9H17NO2S.ClH/c1-13(11,12)8-6-9(7-8)2-4-10-5-3-9;/h8,10H,2-7H2,1H3;1H
InChIKeyKEDFGGKFLBZGQQ-UHFFFAOYSA-N
MW239.77 g/mol
LogP0.99
Rot. Bonds1

About 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride

2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride (PubChem CID 170915103) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride
PubChem CID170915103
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride
SMILESCS(=O)(=O)C1CC2(CCNCC2)C1.Cl
InChIInChI=1S/C9H17NO2S.ClH/c1-13(11,12)8-6-9(7-8)2-4-10-5-3-9;/h8,10H,2-7H2,1H3;1H
InChIKeyKEDFGGKFLBZGQQ-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride (CID 170915103) is 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride is CS(=O)(=O)C1CC2(CCNCC2)C1.Cl.
What is the InChIKey of 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride?
The InChIKey is KEDFGGKFLBZGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.ClH/c1-13(11,12)8-6-9(7-8)2-4-10-5-3-9;/h8,10H,2-7H2,1H3;1H.
What are the key properties of 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride?
2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-7-azaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 170915103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).