1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione

C10H17NS — CID 154095359

IUPAC1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione
SMILESCCC(=S)N1CC2CCCC1C2
InChIInChI=1S/C10H17NS/c1-2-10(12)11-7-8-4-3-5-9(11)6-8/h8-9H,2-7H2,1H3
InChIKeyDOBPEMNOUYATRM-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.60
Rot. Bonds1

About 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione

1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione (PubChem CID 154095359) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione.

Molecular Properties

Compound Name1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione
PubChem CID154095359
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione
SMILESCCC(=S)N1CC2CCCC1C2
InChIInChI=1S/C10H17NS/c1-2-10(12)11-7-8-4-3-5-9(11)6-8/h8-9H,2-7H2,1H3
InChIKeyDOBPEMNOUYATRM-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-azabicyclo[2.2.1]heptane-2-carbothioamide
CID 115588092
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908
6-tert-butyl-6-azabicyclo[3.2.1]octane
CID 153491969
1-(2-tert-butylpyrrolidin-1-yl)propane-1-thione
CID 155201084
(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 72880648
4-hydroxy-1-propanethioylpyrrolidine-2-carboxylic acid
CID 20648963
6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
CID 117050693
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629
4-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxybutan-1-one
CID 103155667
(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069991

Frequently Asked Questions

What is the IUPAC name of 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione?
The IUPAC name of 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione (CID 154095359) is 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione.
What is the SMILES notation for 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione?
The canonical SMILES for 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione is CCC(=S)N1CC2CCCC1C2.
What is the InChIKey of 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione?
The InChIKey is DOBPEMNOUYATRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-10(12)11-7-8-4-3-5-9(11)6-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione?
1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione has a molecular weight of 183.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azabicyclo[3.2.1]octan-6-yl)propane-1-thione is sourced from PubChem (CID 154095359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).