(3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane

C9H17NS2 — CID 58605138

IUPAC(3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane
SMILESC[C@@H]1CC2(CN1C)SCCCS2
InChIInChI=1S/C9H17NS2/c1-8-6-9(7-10(8)2)11-4-3-5-12-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXWVHEPIBQUJZLW-MRVPVSSYSA-N
MW203.38 g/mol
LogP2.28
Rot. Bonds

About (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane

(3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane (PubChem CID 58605138) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane
PubChem CID58605138
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name(3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane
SMILESC[C@@H]1CC2(CN1C)SCCCS2
InChIInChI=1S/C9H17NS2/c1-8-6-9(7-10(8)2)11-4-3-5-12-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXWVHEPIBQUJZLW-MRVPVSSYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane?
The IUPAC name of (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane (CID 58605138) is (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane?
The canonical SMILES for (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane is C[C@@H]1CC2(CN1C)SCCCS2.
What is the InChIKey of (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane?
The InChIKey is XWVHEPIBQUJZLW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-8-6-9(7-10(8)2)11-4-3-5-12-9/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane?
(3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane has a molecular weight of 203.38 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-6,10-dithia-2-azaspiro[4.5]decane is sourced from PubChem (CID 58605138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).