N-(1-sulfanylethyl)acetamide

C4H9NOS — CID 21320270

IUPACN-(1-sulfanylethyl)acetamide
SMILESCC(=O)NC(C)S
InChIInChI=1S/C4H9NOS/c1-3(6)5-4(2)7/h4,7H,1-2H3,(H,5,6)
InChIKeyZMURFMURAQBTEG-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.40
Rot. Bonds1

About N-(1-sulfanylethyl)acetamide

N-(1-sulfanylethyl)acetamide (PubChem CID 21320270) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-(1-sulfanylethyl)acetamide.

Molecular Properties

Compound NameN-(1-sulfanylethyl)acetamide
PubChem CID21320270
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-(1-sulfanylethyl)acetamide
SMILESCC(=O)NC(C)S
InChIInChI=1S/C4H9NOS/c1-3(6)5-4(2)7/h4,7H,1-2H3,(H,5,6)
InChIKeyZMURFMURAQBTEG-UHFFFAOYSA-N
XLogP0.40
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-sulfanylethyl)acetamide?
The IUPAC name of N-(1-sulfanylethyl)acetamide (CID 21320270) is N-(1-sulfanylethyl)acetamide.
What is the SMILES notation for N-(1-sulfanylethyl)acetamide?
The canonical SMILES for N-(1-sulfanylethyl)acetamide is CC(=O)NC(C)S.
What is the InChIKey of N-(1-sulfanylethyl)acetamide?
The InChIKey is ZMURFMURAQBTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-3(6)5-4(2)7/h4,7H,1-2H3,(H,5,6).
What are the key properties of N-(1-sulfanylethyl)acetamide?
N-(1-sulfanylethyl)acetamide has a molecular weight of 119.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-sulfanylethyl)acetamide is sourced from PubChem (CID 21320270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).