(8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane

C8H15NS2 — CID 59048713

IUPAC(8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane
SMILESC[C@@H]1CC2(CN1C)SCCS2
InChIInChI=1S/C8H15NS2/c1-7-5-8(6-9(7)2)10-3-4-11-8/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyKYUUZXXPYIKNEY-SSDOTTSWSA-N
MW189.35 g/mol
LogP1.89
Rot. Bonds

About (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane

(8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane (PubChem CID 59048713) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane
PubChem CID59048713
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name(8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane
SMILESC[C@@H]1CC2(CN1C)SCCS2
InChIInChI=1S/C8H15NS2/c1-7-5-8(6-9(7)2)10-3-4-11-8/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyKYUUZXXPYIKNEY-SSDOTTSWSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane?
The IUPAC name of (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane (CID 59048713) is (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane.
What is the SMILES notation for (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane?
The canonical SMILES for (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane is C[C@@H]1CC2(CN1C)SCCS2.
What is the InChIKey of (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane?
The InChIKey is KYUUZXXPYIKNEY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NS2/c1-7-5-8(6-9(7)2)10-3-4-11-8/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane?
(8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane has a molecular weight of 189.35 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 59048713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).