9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine

C8H15NO2S — CID 171951254

IUPAC9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)S2(=O)=O
InChIInChI=1S/C8H15NO2S/c9-6-4-7-2-1-3-8(5-6)12(7,10)11/h6-8H,1-5,9H2
InChIKeyDQLRSPLTMOKKOL-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.44
Rot. Bonds

About 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine

9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine (PubChem CID 171951254) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine
PubChem CID171951254
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)S2(=O)=O
InChIInChI=1S/C8H15NO2S/c9-6-4-7-2-1-3-8(5-6)12(7,10)11/h6-8H,1-5,9H2
InChIKeyDQLRSPLTMOKKOL-UHFFFAOYSA-N
XLogP0.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171951267
8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
CID 177255740
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine
CID 126838699
(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one
CID 97033379
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-3-methylbutan-1-one
CID 171938298
3-amino-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonane-3-carbonitrile
CID 171936484
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
9,9-dioxo-3-[(Z)-prop-1-enyl]-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171953211
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one
CID 171938031
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)hexadecan-1-one
CID 171939342
4-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-4-oxobutanenitrile
CID 171938178
bicyclo[3.2.0]heptan-3-amine
CID 53402094

Frequently Asked Questions

What is the IUPAC name of 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine (CID 171951254) is 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)S2(=O)=O.
What is the InChIKey of 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DQLRSPLTMOKKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c9-6-4-7-2-1-3-8(5-6)12(7,10)11/h6-8H,1-5,9H2.
What are the key properties of 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine?
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine has a molecular weight of 189.28 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 171951254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).