(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione

C7H11NOS — CID 130763527

IUPAC(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione
SMILESO[C@@]12CCC[C@@H](C1)NC2=S
InChIInChI=1S/C7H11NOS/c9-7-3-1-2-5(4-7)8-6(7)10/h5,9H,1-4H2,(H,8,10)/t5-,7-/m0/s1
InChIKeyMGXJCRFVJONJLG-FSPLSTOPSA-N
MW157.24 g/mol
LogP0.59
Rot. Bonds

About (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione

(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione (PubChem CID 130763527) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione.

Molecular Properties

Compound Name(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione
PubChem CID130763527
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione
SMILESO[C@@]12CCC[C@@H](C1)NC2=S
InChIInChI=1S/C7H11NOS/c9-7-3-1-2-5(4-7)8-6(7)10/h5,9H,1-4H2,(H,8,10)/t5-,7-/m0/s1
InChIKeyMGXJCRFVJONJLG-FSPLSTOPSA-N
XLogP0.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-azabicyclo[3.1.1]heptane
CID 144585149
(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione
CID 55299995
1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one
CID 85230357
cis-(1S,3S)-1-phenylcyclohexane-1,3-diol
CID 130757537
4-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171957923
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
3-amino-1-phenylcyclohexan-1-ol
CID 80562038
3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961833
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one
CID 10997937
3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63588116
1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794519

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione?
The IUPAC name of (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione (CID 130763527) is (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione.
What is the SMILES notation for (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione?
The canonical SMILES for (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione is O[C@@]12CCC[C@@H](C1)NC2=S.
What is the InChIKey of (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione?
The InChIKey is MGXJCRFVJONJLG-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H11NOS/c9-7-3-1-2-5(4-7)8-6(7)10/h5,9H,1-4H2,(H,8,10)/t5-,7-/m0/s1.
What are the key properties of (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione?
(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione has a molecular weight of 157.24 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione is sourced from PubChem (CID 130763527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).