1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine

C12H26N2O2S — CID 163907474

IUPAC1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine
SMILESCC(N)C1(C)CC(C)(C)CCN(C)S(=O)(=O)C1
InChIInChI=1S/C12H26N2O2S/c1-10(13)12(4)8-11(2,3)6-7-14(5)17(15,16)9-12/h10H,6-9,13H2,1-5H3
InChIKeyQPFLOUSUCALYMK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.42
Rot. Bonds1

About 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine

1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine (PubChem CID 163907474) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine
PubChem CID163907474
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine
SMILESCC(N)C1(C)CC(C)(C)CCN(C)S(=O)(=O)C1
InChIInChI=1S/C12H26N2O2S/c1-10(13)12(4)8-11(2,3)6-7-14(5)17(15,16)9-12/h10H,6-9,13H2,1-5H3
InChIKeyQPFLOUSUCALYMK-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methane;1,3,3-trimethylpyrrolidine
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CID 142020415

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine?
The IUPAC name of 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine (CID 163907474) is 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine.
What is the SMILES notation for 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine?
The canonical SMILES for 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine is CC(N)C1(C)CC(C)(C)CCN(C)S(=O)(=O)C1.
What is the InChIKey of 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine?
The InChIKey is QPFLOUSUCALYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(13)12(4)8-11(2,3)6-7-14(5)17(15,16)9-12/h10H,6-9,13H2,1-5H3.
What are the key properties of 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine?
1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine has a molecular weight of 262.42 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,5,7-tetramethyl-1,1-dioxothiazocan-7-yl)ethanamine is sourced from PubChem (CID 163907474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).