N-ethyl-2-sulfanylacetamide

C4H9NOS — CID 12736265

IUPACN-ethyl-2-sulfanylacetamide
SMILESCCNC(=O)CS
InChIInChI=1S/C4H9NOS/c1-2-5-4(6)3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeySBGGZIBNXNOCEV-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.05
Rot. Bonds2

About N-ethyl-2-sulfanylacetamide

N-ethyl-2-sulfanylacetamide (PubChem CID 12736265) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-ethyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-sulfanylacetamide
PubChem CID12736265
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-ethyl-2-sulfanylacetamide
SMILESCCNC(=O)CS
InChIInChI=1S/C4H9NOS/c1-2-5-4(6)3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeySBGGZIBNXNOCEV-UHFFFAOYSA-N
XLogP0.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-sulfanylacetamide?
The IUPAC name of N-ethyl-2-sulfanylacetamide (CID 12736265) is N-ethyl-2-sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-sulfanylacetamide?
The canonical SMILES for N-ethyl-2-sulfanylacetamide is CCNC(=O)CS.
What is the InChIKey of N-ethyl-2-sulfanylacetamide?
The InChIKey is SBGGZIBNXNOCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-2-5-4(6)3-7/h7H,2-3H2,1H3,(H,5,6).
What are the key properties of N-ethyl-2-sulfanylacetamide?
N-ethyl-2-sulfanylacetamide has a molecular weight of 119.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-sulfanylacetamide is sourced from PubChem (CID 12736265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).