N-propyl-2-sulfanylacetamide

C5H11NOS — CID 11116110

IUPACN-propyl-2-sulfanylacetamide
SMILESCCCNC(=O)CS
InChIInChI=1S/C5H11NOS/c1-2-3-6-5(7)4-8/h8H,2-4H2,1H3,(H,6,7)
InChIKeySJKREZXAJDSKQQ-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.44
Rot. Bonds3

About N-propyl-2-sulfanylacetamide

N-propyl-2-sulfanylacetamide (PubChem CID 11116110) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-propyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-propyl-2-sulfanylacetamide
PubChem CID11116110
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-propyl-2-sulfanylacetamide
SMILESCCCNC(=O)CS
InChIInChI=1S/C5H11NOS/c1-2-3-6-5(7)4-8/h8H,2-4H2,1H3,(H,6,7)
InChIKeySJKREZXAJDSKQQ-UHFFFAOYSA-N
XLogP0.44
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylcysteamine
CID 14484
3-Mercapto-N-methylpropanamide
CID 642906
N-(2-methylsulfanylethyl)acetamide
CID 2245987
3-Amino-N-(2-mercaptoethyl)propanamide
CID 120722
Propanamide, N-(2-mercaptoethyl)-
CID 105408
N-(2-methylsulfanylethyl)butanamide
CID 2245988
N-(2-Sulfanylpropyl)ethanimidic acid
CID 3078302
N-methyl-4-sulfanylbutanamide
CID 104159
N-(2-Sulfanylethyl)butanamide
CID 22222166
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
N-(3-Aminopropyl)-2-mercaptopropionamide
CID 522758
(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
CID 72947096

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-sulfanylacetamide?
The IUPAC name of N-propyl-2-sulfanylacetamide (CID 11116110) is N-propyl-2-sulfanylacetamide.
What is the SMILES notation for N-propyl-2-sulfanylacetamide?
The canonical SMILES for N-propyl-2-sulfanylacetamide is CCCNC(=O)CS.
What is the InChIKey of N-propyl-2-sulfanylacetamide?
The InChIKey is SJKREZXAJDSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-2-3-6-5(7)4-8/h8H,2-4H2,1H3,(H,6,7).
What are the key properties of N-propyl-2-sulfanylacetamide?
N-propyl-2-sulfanylacetamide has a molecular weight of 133.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-sulfanylacetamide is sourced from PubChem (CID 11116110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).