3-methyl-1,4-dithia-8-azaspiro[4.5]decane

C8H15NS2 — CID 123622313

IUPAC3-methyl-1,4-dithia-8-azaspiro[4.5]decane
SMILESCC1CSC2(CCNCC2)S1
InChIInChI=1S/C8H15NS2/c1-7-6-10-8(11-7)2-4-9-5-3-8/h7,9H,2-6H2,1H3
InChIKeyPOKGBGOREZYTRD-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.93
Rot. Bonds

About 3-methyl-1,4-dithia-8-azaspiro[4.5]decane

3-methyl-1,4-dithia-8-azaspiro[4.5]decane (PubChem CID 123622313) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 3-methyl-1,4-dithia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-1,4-dithia-8-azaspiro[4.5]decane
PubChem CID123622313
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name3-methyl-1,4-dithia-8-azaspiro[4.5]decane
SMILESCC1CSC2(CCNCC2)S1
InChIInChI=1S/C8H15NS2/c1-7-6-10-8(11-7)2-4-9-5-3-8/h7,9H,2-6H2,1H3
InChIKeyPOKGBGOREZYTRD-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dithia-8-azaspiro[4.5]decane?
The IUPAC name of 3-methyl-1,4-dithia-8-azaspiro[4.5]decane (CID 123622313) is 3-methyl-1,4-dithia-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-1,4-dithia-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methyl-1,4-dithia-8-azaspiro[4.5]decane is CC1CSC2(CCNCC2)S1.
What is the InChIKey of 3-methyl-1,4-dithia-8-azaspiro[4.5]decane?
The InChIKey is POKGBGOREZYTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-7-6-10-8(11-7)2-4-9-5-3-8/h7,9H,2-6H2,1H3.
What are the key properties of 3-methyl-1,4-dithia-8-azaspiro[4.5]decane?
3-methyl-1,4-dithia-8-azaspiro[4.5]decane has a molecular weight of 189.35 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dithia-8-azaspiro[4.5]decane is sourced from PubChem (CID 123622313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).