2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide

C12H24N2OS — CID 114621309

IUPAC2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide
SMILESCCN(CC(N)=S)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24N2OS/c1-6-14(8-10(13)16)9-7-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3,(H2,13,16)
InChIKeyZKVHHNZMOYSYDU-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.94
Rot. Bonds4

About 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide

2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide (PubChem CID 114621309) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide
PubChem CID114621309
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide
SMILESCCN(CC(N)=S)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24N2OS/c1-6-14(8-10(13)16)9-7-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3,(H2,13,16)
InChIKeyZKVHHNZMOYSYDU-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide?
The IUPAC name of 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide (CID 114621309) is 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide?
The canonical SMILES for 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide is CCN(CC(N)=S)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide?
The InChIKey is ZKVHHNZMOYSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-6-14(8-10(13)16)9-7-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3,(H2,13,16).
What are the key properties of 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide?
2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide has a molecular weight of 244.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide is sourced from PubChem (CID 114621309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).