6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane

C9H17NS2 — CID 6420750

IUPAC6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane
SMILESCC1NCCC2(SCCS2)C1C
InChIInChI=1S/C9H17NS2/c1-7-8(2)10-4-3-9(7)11-5-6-12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyKXEIVFQIECTMNP-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.18
Rot. Bonds

About 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane

6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane (PubChem CID 6420750) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane
PubChem CID6420750
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane
SMILESCC1NCCC2(SCCS2)C1C
InChIInChI=1S/C9H17NS2/c1-7-8(2)10-4-3-9(7)11-5-6-12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyKXEIVFQIECTMNP-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
The IUPAC name of 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane (CID 6420750) is 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane.
What is the SMILES notation for 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
The canonical SMILES for 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane is CC1NCCC2(SCCS2)C1C.
What is the InChIKey of 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
The InChIKey is KXEIVFQIECTMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-7-8(2)10-4-3-9(7)11-5-6-12-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane?
6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane has a molecular weight of 203.38 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,4-dithia-8-azaspiro[4.5]decane is sourced from PubChem (CID 6420750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).