N-(3-propylsulfanylpropyl)acetamide

C8H17NOS — CID 57111045

IUPACN-(3-propylsulfanylpropyl)acetamide
SMILESCCCSCCCNC(C)=O
InChIInChI=1S/C8H17NOS/c1-3-6-11-7-4-5-9-8(2)10/h3-7H2,1-2H3,(H,9,10)
InChIKeyWSIXHIPVZUQWPL-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.66
Rot. Bonds6

About N-(3-propylsulfanylpropyl)acetamide

N-(3-propylsulfanylpropyl)acetamide (PubChem CID 57111045) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(3-propylsulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-propylsulfanylpropyl)acetamide
PubChem CID57111045
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(3-propylsulfanylpropyl)acetamide
SMILESCCCSCCCNC(C)=O
InChIInChI=1S/C8H17NOS/c1-3-6-11-7-4-5-9-8(2)10/h3-7H2,1-2H3,(H,9,10)
InChIKeyWSIXHIPVZUQWPL-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of N-(3-propylsulfanylpropyl)acetamide?
The IUPAC name of N-(3-propylsulfanylpropyl)acetamide (CID 57111045) is N-(3-propylsulfanylpropyl)acetamide.
What is the SMILES notation for N-(3-propylsulfanylpropyl)acetamide?
The canonical SMILES for N-(3-propylsulfanylpropyl)acetamide is CCCSCCCNC(C)=O.
What is the InChIKey of N-(3-propylsulfanylpropyl)acetamide?
The InChIKey is WSIXHIPVZUQWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-6-11-7-4-5-9-8(2)10/h3-7H2,1-2H3,(H,9,10).
What are the key properties of N-(3-propylsulfanylpropyl)acetamide?
N-(3-propylsulfanylpropyl)acetamide has a molecular weight of 175.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylsulfanylpropyl)acetamide is sourced from PubChem (CID 57111045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).