2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide

C10H20N2O2S — CID 134091545

IUPAC2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCC(=O)NC(C)C
InChIInChI=1S/C10H20N2O2S/c1-7(2)11-9(13)5-15-6-10(14)12-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyFLTQDMZANNXHEJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.77
Rot. Bonds6

About 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide

2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 134091545) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide
PubChem CID134091545
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCC(=O)NC(C)C
InChIInChI=1S/C10H20N2O2S/c1-7(2)11-9(13)5-15-6-10(14)12-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyFLTQDMZANNXHEJ-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide (CID 134091545) is 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSCC(=O)NC(C)C.
What is the InChIKey of 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is FLTQDMZANNXHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7(2)11-9(13)5-15-6-10(14)12-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide?
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 232.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 134091545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).