6,10-dithia-2-azaspiro[4.5]decane

C7H13NS2 — CID 45158739

IUPAC6,10-dithia-2-azaspiro[4.5]decane
SMILESC1CSC2(CCNC2)SC1
InChIInChI=1S/C7H13NS2/c1-4-9-7(10-5-1)2-3-8-6-7/h8H,1-6H2
InChIKeyIDSCKXLPFCPEKZ-UHFFFAOYSA-N
MW175.32 g/mol
LogP1.55
Rot. Bonds

About 6,10-dithia-2-azaspiro[4.5]decane

6,10-dithia-2-azaspiro[4.5]decane (PubChem CID 45158739) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is 6,10-dithia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name6,10-dithia-2-azaspiro[4.5]decane
PubChem CID45158739
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name6,10-dithia-2-azaspiro[4.5]decane
SMILESC1CSC2(CCNC2)SC1
InChIInChI=1S/C7H13NS2/c1-4-9-7(10-5-1)2-3-8-6-7/h8H,1-6H2
InChIKeyIDSCKXLPFCPEKZ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,10-dithia-2-azaspiro[4.5]decane?
The IUPAC name of 6,10-dithia-2-azaspiro[4.5]decane (CID 45158739) is 6,10-dithia-2-azaspiro[4.5]decane.
What is the SMILES notation for 6,10-dithia-2-azaspiro[4.5]decane?
The canonical SMILES for 6,10-dithia-2-azaspiro[4.5]decane is C1CSC2(CCNC2)SC1.
What is the InChIKey of 6,10-dithia-2-azaspiro[4.5]decane?
The InChIKey is IDSCKXLPFCPEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2/c1-4-9-7(10-5-1)2-3-8-6-7/h8H,1-6H2.
What are the key properties of 6,10-dithia-2-azaspiro[4.5]decane?
6,10-dithia-2-azaspiro[4.5]decane has a molecular weight of 175.32 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dithia-2-azaspiro[4.5]decane is sourced from PubChem (CID 45158739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).