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

C7H13NS2 — CID 58604852

IUPAC(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane
SMILESC[C@@H]1CC2(CN1)SCCS2
InChIInChI=1S/C7H13NS2/c1-6-4-7(5-8-6)9-2-3-10-7/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyJTZRKFQBAABAPS-ZCFIWIBFSA-N
MW175.32 g/mol
LogP1.54
Rot. Bonds

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

(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane (PubChem CID 58604852) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane
PubChem CID58604852
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane
SMILESC[C@@H]1CC2(CN1)SCCS2
InChIInChI=1S/C7H13NS2/c1-6-4-7(5-8-6)9-2-3-10-7/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyJTZRKFQBAABAPS-ZCFIWIBFSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane?
The IUPAC name of (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane (CID 58604852) is (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane.
What is the SMILES notation for (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane?
The canonical SMILES for (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane is C[C@@H]1CC2(CN1)SCCS2.
What is the InChIKey of (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane?
The InChIKey is JTZRKFQBAABAPS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NS2/c1-6-4-7(5-8-6)9-2-3-10-7/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane?
(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane has a molecular weight of 175.32 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 58604852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).