(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione

C6H9NOS — CID 91886205

IUPAC(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione
SMILESS=C1NC[C@@H]2CC[C@H]1O2
InChIInChI=1S/C6H9NOS/c9-6-5-2-1-4(8-5)3-7-6/h4-5H,1-3H2,(H,7,9)/t4-,5+/m0/s1
InChIKeyHEAWCPGCWNVSHU-CRCLSJGQSA-N
MW143.21 g/mol
LogP0.46
Rot. Bonds

About (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione

(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione (PubChem CID 91886205) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione.

Molecular Properties

Compound Name(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione
PubChem CID91886205
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione
SMILESS=C1NC[C@@H]2CC[C@H]1O2
InChIInChI=1S/C6H9NOS/c9-6-5-2-1-4(8-5)3-7-6/h4-5H,1-3H2,(H,7,9)/t4-,5+/m0/s1
InChIKeyHEAWCPGCWNVSHU-CRCLSJGQSA-N
XLogP0.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one
CID 44632343
7-oxa-2-azabicyclo[2.2.1]heptane
CID 90981681
(1S,4R)-7-oxa-2-azabicyclo[2.2.1]heptane
CID 159447161
(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione
CID 148827081
3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one
CID 130027778
(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione
CID 95970437
(2R,6S)-2-propan-2-yl-6-(trifluoromethyl)morpholine-3-thione
CID 95970456
5-phenyl-1,3-oxazolidine-2-thione
CID 10397377
1-[(1S,6R)-9-oxabicyclo[4.2.1]nonan-2-ylidene]pyrrolidin-1-ium
CID 98163445
4-sulfanylimidazolidine-2-thione
CID 151716523
(1R,5R,8R,12R)-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
CID 124921984
6-methylpiperazine-2-thione
CID 72658874

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione?
The IUPAC name of (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione (CID 91886205) is (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione.
What is the SMILES notation for (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione?
The canonical SMILES for (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione is S=C1NC[C@@H]2CC[C@H]1O2.
What is the InChIKey of (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione?
The InChIKey is HEAWCPGCWNVSHU-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9NOS/c9-6-5-2-1-4(8-5)3-7-6/h4-5H,1-3H2,(H,7,9)/t4-,5+/m0/s1.
What are the key properties of (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione?
(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione has a molecular weight of 143.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione is sourced from PubChem (CID 91886205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).