(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine

C8H15NO2S — CID 126838699

IUPAC(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine
SMILESNCC1CC2CCC(C1)S2(=O)=O
InChIInChI=1S/C8H15NO2S/c9-5-6-3-7-1-2-8(4-6)12(7,10)11/h6-8H,1-5,9H2
InChIKeyPPRZSPJEQGEAPE-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.30
Rot. Bonds1

About (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 126838699) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID126838699
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine
SMILESNCC1CC2CCC(C1)S2(=O)=O
InChIInChI=1S/C8H15NO2S/c9-5-6-3-7-1-2-8(4-6)12(7,10)11/h6-8H,1-5,9H2
InChIKeyPPRZSPJEQGEAPE-UHFFFAOYSA-N
XLogP0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine
CID 171951254
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
8-bicyclo[4.3.3]dodecanylmethanamine
CID 170362758
8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
CID 177255740
carbonyl dichloride;cyclopentylmethanamine
CID 175500513
[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
CID 98469517
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine
CID 171937266
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-6-fluorohexan-1-one
CID 171938022
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171951267
cyclohexylmethanamine;hydrochloride
CID 3039618

Frequently Asked Questions

What is the IUPAC name of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine (CID 126838699) is (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine is NCC1CC2CCC(C1)S2(=O)=O.
What is the InChIKey of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is PPRZSPJEQGEAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c9-5-6-3-7-1-2-8(4-6)12(7,10)11/h6-8H,1-5,9H2.
What are the key properties of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine?
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 189.28 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 126838699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).