7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride

C8H17ClN2O2S — CID 167718198

IUPAC7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride
SMILESCS(=O)(=O)N1CCC2(CC1)CNC2.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-13(11,12)10-4-2-8(3-5-10)6-9-7-8;/h9H,2-7H2,1H3;1H
InChIKeyQDFFUGRACQHHCB-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.05
Rot. Bonds1

About 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride

7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride (PubChem CID 167718198) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride
PubChem CID167718198
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride
SMILESCS(=O)(=O)N1CCC2(CC1)CNC2.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-13(11,12)10-4-2-8(3-5-10)6-9-7-8;/h9H,2-7H2,1H3;1H
InChIKeyQDFFUGRACQHHCB-UHFFFAOYSA-N
XLogP0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride (CID 167718198) is 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride is CS(=O)(=O)N1CCC2(CC1)CNC2.Cl.
What is the InChIKey of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride?
The InChIKey is QDFFUGRACQHHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S.ClH/c1-13(11,12)10-4-2-8(3-5-10)6-9-7-8;/h9H,2-7H2,1H3;1H.
What are the key properties of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride?
7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 167718198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).