8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride

C11H23ClN2O2S — CID 169490463

IUPAC8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCCS(=O)(=O)N1CCC2(CCNC2)CC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-2-9-16(14,15)13-7-4-11(5-8-13)3-6-12-10-11;/h12H,2-10H2,1H3;1H
InChIKeyPGFWIGALANKUMW-UHFFFAOYSA-N
MW282.84 g/mol
LogP1.22
Rot. Bonds3

About 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride

8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 169490463) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID169490463
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC Name8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCCS(=O)(=O)N1CCC2(CCNC2)CC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-2-9-16(14,15)13-7-4-11(5-8-13)3-6-12-10-11;/h12H,2-10H2,1H3;1H
InChIKeyPGFWIGALANKUMW-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (CID 169490463) is 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is CCCS(=O)(=O)N1CCC2(CCNC2)CC1.Cl.
What is the InChIKey of 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is PGFWIGALANKUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S.ClH/c1-2-9-16(14,15)13-7-4-11(5-8-13)3-6-12-10-11;/h12H,2-10H2,1H3;1H.
What are the key properties of 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 282.84 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 169490463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).