N-[3-(ethanethioylamino)butan-2-yl]acetamide

C8H16N2OS — CID 118039462

IUPACN-[3-(ethanethioylamino)butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(C)NC(C)=S
InChIInChI=1S/C8H16N2OS/c1-5(9-7(3)11)6(2)10-8(4)12/h5-6H,1-4H3,(H,9,11)(H,10,12)
InChIKeyZZRHOJVAVUXBBG-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.84
Rot. Bonds3

About N-[3-(ethanethioylamino)butan-2-yl]acetamide

N-[3-(ethanethioylamino)butan-2-yl]acetamide (PubChem CID 118039462) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-[3-(ethanethioylamino)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(ethanethioylamino)butan-2-yl]acetamide
PubChem CID118039462
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-[3-(ethanethioylamino)butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(C)NC(C)=S
InChIInChI=1S/C8H16N2OS/c1-5(9-7(3)11)6(2)10-8(4)12/h5-6H,1-4H3,(H,9,11)(H,10,12)
InChIKeyZZRHOJVAVUXBBG-UHFFFAOYSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[3-(ethanethioylamino)butan-2-yl]acetamide?
The IUPAC name of N-[3-(ethanethioylamino)butan-2-yl]acetamide (CID 118039462) is N-[3-(ethanethioylamino)butan-2-yl]acetamide.
What is the SMILES notation for N-[3-(ethanethioylamino)butan-2-yl]acetamide?
The canonical SMILES for N-[3-(ethanethioylamino)butan-2-yl]acetamide is CC(=O)NC(C)C(C)NC(C)=S.
What is the InChIKey of N-[3-(ethanethioylamino)butan-2-yl]acetamide?
The InChIKey is ZZRHOJVAVUXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-5(9-7(3)11)6(2)10-8(4)12/h5-6H,1-4H3,(H,9,11)(H,10,12).
What are the key properties of N-[3-(ethanethioylamino)butan-2-yl]acetamide?
N-[3-(ethanethioylamino)butan-2-yl]acetamide has a molecular weight of 188.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethanethioylamino)butan-2-yl]acetamide is sourced from PubChem (CID 118039462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).