2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride

C8H16ClNO2S — CID 137346554

IUPAC2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CCNCC2)C1
InChIInChI=1S/C8H15NO2S.ClH/c10-12(11)6-3-8(7-12)1-4-9-5-2-8;/h9H,1-7H2;1H
InChIKeyXDTPBQDJPNNBTN-UHFFFAOYSA-N
MW225.74 g/mol
LogP0.60
Rot. Bonds

About 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride

2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride (PubChem CID 137346554) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride.

Molecular Properties

Compound Name2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride
PubChem CID137346554
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CCNCC2)C1
InChIInChI=1S/C8H15NO2S.ClH/c10-12(11)6-3-8(7-12)1-4-9-5-2-8;/h9H,1-7H2;1H
InChIKeyXDTPBQDJPNNBTN-UHFFFAOYSA-N
XLogP0.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride?
The IUPAC name of 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride (CID 137346554) is 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride.
What is the SMILES notation for 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride?
The canonical SMILES for 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride is Cl.O=S1(=O)CCC2(CCNCC2)C1.
What is the InChIKey of 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride?
The InChIKey is XDTPBQDJPNNBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S.ClH/c10-12(11)6-3-8(7-12)1-4-9-5-2-8;/h9H,1-7H2;1H.
What are the key properties of 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride?
2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide;hydrochloride is sourced from PubChem (CID 137346554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).