(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane

C7H13NS — CID 121426257

IUPAC(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane
SMILESC[C@@H]1CSCC12CNC2
InChIInChI=1S/C7H13NS/c1-6-2-9-5-7(6)3-8-4-7/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyIIFDCKZFBBBNJJ-ZCFIWIBFSA-N
MW143.25 g/mol
LogP0.96
Rot. Bonds

About (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane

(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane (PubChem CID 121426257) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane
PubChem CID121426257
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane
SMILESC[C@@H]1CSCC12CNC2
InChIInChI=1S/C7H13NS/c1-6-2-9-5-7(6)3-8-4-7/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyIIFDCKZFBBBNJJ-ZCFIWIBFSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane (CID 121426257) is (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane is C[C@@H]1CSCC12CNC2.
What is the InChIKey of (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
The InChIKey is IIFDCKZFBBBNJJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-2-9-5-7(6)3-8-4-7/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane?
(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane has a molecular weight of 143.25 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-6-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 121426257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).