N-[3-(Methylsulfanyl)propyl]acetamide

C6H13NOS — CID 14296346

IUPACN-(3-methylsulfanylpropyl)acetamide
SMILESCC(=O)NCCCSC
InChIInChI=1S/C6H13NOS/c1-6(8)7-4-3-5-9-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyASPAYHQEPZPDPA-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.50
Rot. Bonds4

About N-[3-(Methylsulfanyl)propyl]acetamide

N-[3-(Methylsulfanyl)propyl]acetamide (PubChem CID 14296346) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-[3-(Methylsulfanyl)propyl]acetamide
PubChem CID14296346
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(3-methylsulfanylpropyl)acetamide
SMILESCC(=O)NCCCSC
InChIInChI=1S/C6H13NOS/c1-6(8)7-4-3-5-9-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyASPAYHQEPZPDPA-UHFFFAOYSA-N
XLogP0.50
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity85

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylcysteamine
CID 14484
N-(2-methylsulfanylethyl)acetamide
CID 2245987
3-Thiomorpholinone, 2-methyl-
CID 95528
2,5-Dimethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95534
Ethanethioic acid, S-(2-(acetylamino)ethyl) ester
CID 14997
1,4-Thiazepan-5-one
CID 286337
Propanamide, N-(2-mercaptoethyl)-
CID 105408
N-(2-methylsulfanylethyl)butanamide
CID 2245988
N-(2-Sulfanylpropyl)ethanimidic acid
CID 3078302
Propanamide, N-[2-(hexylthio)ethyl]-
CID 113635
S-Ethyl propylcarbamothioate
CID 181617
2-methylthio-N-methylacetamide
CID 13553138

Frequently Asked Questions

What is the IUPAC name of N-[3-(Methylsulfanyl)propyl]acetamide?
The IUPAC name of N-[3-(Methylsulfanyl)propyl]acetamide (CID 14296346) is N-(3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for N-[3-(Methylsulfanyl)propyl]acetamide?
The canonical SMILES for N-[3-(Methylsulfanyl)propyl]acetamide is CC(=O)NCCCSC.
What is the InChIKey of N-[3-(Methylsulfanyl)propyl]acetamide?
The InChIKey is ASPAYHQEPZPDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(8)7-4-3-5-9-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of N-[3-(Methylsulfanyl)propyl]acetamide?
N-[3-(Methylsulfanyl)propyl]acetamide has a molecular weight of 147.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(Methylsulfanyl)propyl]acetamide is sourced from PubChem (CID 14296346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).