(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine

C8H15NO2S — CID 62708709

IUPAC(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine
SMILESNCC1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C8H15NO2S/c9-6-7-5-8(7)1-3-12(10,11)4-2-8/h7H,1-6,9H2
InChIKeyPEWYBZKIPNBYLD-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.16
Rot. Bonds1

About (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine

(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine (PubChem CID 62708709) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine.

Molecular Properties

Compound Name(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine
PubChem CID62708709
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine
SMILESNCC1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C8H15NO2S/c9-6-7-5-8(7)1-3-12(10,11)4-2-8/h7H,1-6,9H2
InChIKeyPEWYBZKIPNBYLD-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Aminomethyl)-6lambda6-thiaspiro[2.5]octane-6,6-dione hydrochloride
CID 145909097
6-Thiaspiro[2.5]octan-1-ylmethanamine
CID 62708519
1-Amino-6lambda6-thiaspiro[2.5]octane-6,6-dione
CID 62389724
1-Amino-6lambda6-thiaspiro[2.5]octane-6,6-dione
CID 62389724
[1,1-Dioxo-3-(2,2,2-trifluoroethyl)thian-4-yl]methanamine
CID 84802850
2-(3-Fluoro-1,1-dioxothian-3-yl)propan-1-amine
CID 105463188
3-(1,1-Dioxothian-4-yl)-3-fluorobutan-1-amine
CID 105480916
[3-(2-Fluoroethyl)-1,1-dioxothian-4-yl]methanamine
CID 115026486
2-[3-(1-Fluoroethyl)-1,1-dioxothian-3-yl]ethanamine
CID 115034068
3-(1,1-Dioxothian-4-yl)-4-fluorobutan-1-amine
CID 115034071
2-[3-(1-Fluoroethyl)-1,1-dioxothian-3-yl]ethanamine
CID 115034068
3-(1,1-Dioxothian-4-yl)-4-fluorobutan-1-amine
CID 115034071

Frequently Asked Questions

What is the IUPAC name of (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine?
The IUPAC name of (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine (CID 62708709) is (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine.
What is the SMILES notation for (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine?
The canonical SMILES for (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine is NCC1CC12CCS(=O)(=O)CC2.
What is the InChIKey of (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine?
The InChIKey is PEWYBZKIPNBYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c9-6-7-5-8(7)1-3-12(10,11)4-2-8/h7H,1-6,9H2.
What are the key properties of (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine?
(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine has a molecular weight of 189.28 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methanamine is sourced from PubChem (CID 62708709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).