8-methyl-2-thiaspiro[4.4]nonane

C9H16S — CID 130381700

IUPAC8-methyl-2-thiaspiro[4.4]nonane
SMILESCC1CCC2(CCSC2)C1
InChIInChI=1S/C9H16S/c1-8-2-3-9(6-8)4-5-10-7-9/h8H,2-7H2,1H3
InChIKeyPFVKWPLINSUSGZ-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.93
Rot. Bonds

About 8-methyl-2-thiaspiro[4.4]nonane

8-methyl-2-thiaspiro[4.4]nonane (PubChem CID 130381700) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 8-methyl-2-thiaspiro[4.4]nonane.

Molecular Properties

Compound Name8-methyl-2-thiaspiro[4.4]nonane
PubChem CID130381700
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name8-methyl-2-thiaspiro[4.4]nonane
SMILESCC1CCC2(CCSC2)C1
InChIInChI=1S/C9H16S/c1-8-2-3-9(6-8)4-5-10-7-9/h8H,2-7H2,1H3
InChIKeyPFVKWPLINSUSGZ-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-thiaspiro[4.4]nonane?
The IUPAC name of 8-methyl-2-thiaspiro[4.4]nonane (CID 130381700) is 8-methyl-2-thiaspiro[4.4]nonane.
What is the SMILES notation for 8-methyl-2-thiaspiro[4.4]nonane?
The canonical SMILES for 8-methyl-2-thiaspiro[4.4]nonane is CC1CCC2(CCSC2)C1.
What is the InChIKey of 8-methyl-2-thiaspiro[4.4]nonane?
The InChIKey is PFVKWPLINSUSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-8-2-3-9(6-8)4-5-10-7-9/h8H,2-7H2,1H3.
What are the key properties of 8-methyl-2-thiaspiro[4.4]nonane?
8-methyl-2-thiaspiro[4.4]nonane has a molecular weight of 156.29 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-thiaspiro[4.4]nonane is sourced from PubChem (CID 130381700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).