N-(sulfanylmethyl)acetamide

C3H7NOS — CID 18401446

IUPACN-(sulfanylmethyl)acetamide
SMILESCC(=O)NCS
InChIInChI=1S/C3H7NOS/c1-3(5)4-2-6/h6H,2H2,1H3,(H,4,5)
InChIKeyZVUYJKVAXOZYGB-UHFFFAOYSA-N
MW105.16 g/mol
LogP0.01
Rot. Bonds1

About N-(sulfanylmethyl)acetamide

N-(sulfanylmethyl)acetamide (PubChem CID 18401446) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is N-(sulfanylmethyl)acetamide.

Molecular Properties

Compound NameN-(sulfanylmethyl)acetamide
PubChem CID18401446
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC NameN-(sulfanylmethyl)acetamide
SMILESCC(=O)NCS
InChIInChI=1S/C3H7NOS/c1-3(5)4-2-6/h6H,2H2,1H3,(H,4,5)
InChIKeyZVUYJKVAXOZYGB-UHFFFAOYSA-N
XLogP0.01
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.01
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-(sulfanylmethyl)acetamide?
The IUPAC name of N-(sulfanylmethyl)acetamide (CID 18401446) is N-(sulfanylmethyl)acetamide.
What is the SMILES notation for N-(sulfanylmethyl)acetamide?
The canonical SMILES for N-(sulfanylmethyl)acetamide is CC(=O)NCS.
What is the InChIKey of N-(sulfanylmethyl)acetamide?
The InChIKey is ZVUYJKVAXOZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c1-3(5)4-2-6/h6H,2H2,1H3,(H,4,5).
What are the key properties of N-(sulfanylmethyl)acetamide?
N-(sulfanylmethyl)acetamide has a molecular weight of 105.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(sulfanylmethyl)acetamide is sourced from PubChem (CID 18401446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).