6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine

C7H13NO2S — CID 62389724

IUPAC6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine
SMILESNC1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C7H13NO2S/c8-6-5-7(6)1-3-11(9,10)4-2-7/h6H,1-5,8H2
InChIKeyUIDONUXHTFQLIQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.09
Rot. Bonds

About 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine

6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine (PubChem CID 62389724) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine
PubChem CID62389724
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine
SMILESNC1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C7H13NO2S/c8-6-5-7(6)1-3-11(9,10)4-2-7/h6H,1-5,8H2
InChIKeyUIDONUXHTFQLIQ-UHFFFAOYSA-N
XLogP-0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine?
The IUPAC name of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine (CID 62389724) is 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine.
What is the SMILES notation for 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine?
The canonical SMILES for 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine is NC1CC12CCS(=O)(=O)CC2.
What is the InChIKey of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine?
The InChIKey is UIDONUXHTFQLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c8-6-5-7(6)1-3-11(9,10)4-2-7/h6H,1-5,8H2.
What are the key properties of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine?
6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine has a molecular weight of 175.25 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine is sourced from PubChem (CID 62389724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).