N-(2-sulfanylpropyl)acetamide

C5H11NOS — CID 3078302

IUPACN-(2-sulfanylpropyl)acetamide
SMILESCC(=O)NCC(C)S
InChIInChI=1S/C5H11NOS/c1-4(8)3-6-5(2)7/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyNDALELRIQMWDOM-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.44
Rot. Bonds2

About N-(2-sulfanylpropyl)acetamide

N-(2-sulfanylpropyl)acetamide (PubChem CID 3078302) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-(2-sulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-sulfanylpropyl)acetamide
PubChem CID3078302
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-(2-sulfanylpropyl)acetamide
SMILESCC(=O)NCC(C)S
InChIInChI=1S/C5H11NOS/c1-4(8)3-6-5(2)7/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyNDALELRIQMWDOM-UHFFFAOYSA-N
XLogP0.44
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-methyl-4-sulfanylbutanamide
CID 104159
N-(2-Sulfanylethyl)butanamide
CID 22222166
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
N-propyl mercaptoacetamide
CID 11116110
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-(2-sulfanylpropyl)acetamide?
The IUPAC name of N-(2-sulfanylpropyl)acetamide (CID 3078302) is N-(2-sulfanylpropyl)acetamide.
What is the SMILES notation for N-(2-sulfanylpropyl)acetamide?
The canonical SMILES for N-(2-sulfanylpropyl)acetamide is CC(=O)NCC(C)S.
What is the InChIKey of N-(2-sulfanylpropyl)acetamide?
The InChIKey is NDALELRIQMWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4(8)3-6-5(2)7/h4,8H,3H2,1-2H3,(H,6,7).
What are the key properties of N-(2-sulfanylpropyl)acetamide?
N-(2-sulfanylpropyl)acetamide has a molecular weight of 133.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylpropyl)acetamide is sourced from PubChem (CID 3078302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).