1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol

C10H19NS — CID 130223482

IUPAC1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol
SMILESCC(S)N1CCC2(CC[C@@H]2C)C1
InChIInChI=1S/C10H19NS/c1-8-3-4-10(8)5-6-11(7-10)9(2)12/h8-9,12H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyGAQQVUALFARHDJ-IDKOKCKLSA-N
MW185.34 g/mol
LogP2.38
Rot. Bonds1

About 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol

1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol (PubChem CID 130223482) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol.

Molecular Properties

Compound Name1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol
PubChem CID130223482
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol
SMILESCC(S)N1CCC2(CC[C@@H]2C)C1
InChIInChI=1S/C10H19NS/c1-8-3-4-10(8)5-6-11(7-10)9(2)12/h8-9,12H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyGAQQVUALFARHDJ-IDKOKCKLSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-Pyrrolidin-1-ylethyl)hexane-1-thiol
CID 23362400
3-(Pyrrolidin-1-ylmethyl)heptane-1-thiol
CID 23362442
3-(Pyrrolidin-1-ylmethyl)hexane-1-thiol
CID 23362446
2-(2-Pyrrolidin-1-ylethyl)pentane-1-thiol
CID 23362462
3-[(3-Propan-2-ylcyclobutyl)methyl]-1,3-thiazolidine
CID 68067691
1-(8-Methyl-2-azaspiro[4.4]nonan-2-yl)propane-1-thiol
CID 90872453
1,1,4-Trimethyl-5-propylpyrrolidin-1-ium-3-thiol
CID 91418635
5-[3,3-Dimethylbutyl(methyl)amino]-5,8-dimethyl-5-azoniaspiro[3.4]octane-6-thiol
CID 91553588
3,6-Dimethyl-6-azaspiro[3.4]octane
CID 118029269
1-[1,1-Dimethyl-4-(2-methylbutan-2-yl)pyrrolidin-1-ium-3-yl]-2-methylpropane-2-thiol
CID 123570071
1-[4-(2,2-Dimethylpropyl)-1,1-dimethylpyrrolidin-1-ium-3-yl]-2-methylpropane-2-thiol
CID 123668659
1-(3-Propan-2-ylpyrrolidin-1-yl)ethanethiol
CID 129263485

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol?
The IUPAC name of 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol (CID 130223482) is 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol.
What is the SMILES notation for 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol?
The canonical SMILES for 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol is CC(S)N1CCC2(CC[C@@H]2C)C1.
What is the InChIKey of 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol?
The InChIKey is GAQQVUALFARHDJ-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H19NS/c1-8-3-4-10(8)5-6-11(7-10)9(2)12/h8-9,12H,3-7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol?
1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol has a molecular weight of 185.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol is sourced from PubChem (CID 130223482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).