8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride

C7H14ClNO3S — CID 138006717

IUPAC8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride
SMILESCl.[H]N=S1(=O)CCC2(CC1)OCCO2
InChIInChI=1S/C7H13NO3S.ClH/c8-12(9)5-1-7(2-6-12)10-3-4-11-7;/h8H,1-6H2;1H
InChIKeyJMLMQDTVRJUSMY-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.99
Rot. Bonds

About 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride

8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride (PubChem CID 138006717) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride.

Molecular Properties

Compound Name8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride
PubChem CID138006717
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride
SMILESCl.[H]N=S1(=O)CCC2(CC1)OCCO2
InChIInChI=1S/C7H13NO3S.ClH/c8-12(9)5-1-7(2-6-12)10-3-4-11-7;/h8H,1-6H2;1H
InChIKeyJMLMQDTVRJUSMY-UHFFFAOYSA-N
XLogP0.99
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride?
The IUPAC name of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride (CID 138006717) is 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride.
What is the SMILES notation for 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride?
The canonical SMILES for 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride is Cl.[H]N=S1(=O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride?
The InChIKey is JMLMQDTVRJUSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S.ClH/c8-12(9)5-1-7(2-6-12)10-3-4-11-7;/h8H,1-6H2;1H.
What are the key properties of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride?
8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride has a molecular weight of 227.71 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide;hydrochloride is sourced from PubChem (CID 138006717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).