2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide

C7H14N2O2S — CID 2729293

IUPAC2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide
SMILESCC(C)SCC(=O)NCC(N)=O
InChIInChI=1S/C7H14N2O2S/c1-5(2)12-4-7(11)9-3-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyMGNJFPOCCNEDBU-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide

2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide (PubChem CID 2729293) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide
PubChem CID2729293
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide
SMILESCC(C)SCC(=O)NCC(N)=O
InChIInChI=1S/C7H14N2O2S/c1-5(2)12-4-7(11)9-3-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyMGNJFPOCCNEDBU-UHFFFAOYSA-N
XLogP-0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide?
The IUPAC name of 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide (CID 2729293) is 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide?
The canonical SMILES for 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide is CC(C)SCC(=O)NCC(N)=O.
What is the InChIKey of 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide?
The InChIKey is MGNJFPOCCNEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5(2)12-4-7(11)9-3-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide?
2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide has a molecular weight of 190.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 2729293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).