N-(2-sulfanylethyl)octanamide

C10H21NOS — CID 521749

IUPACN-(2-sulfanylethyl)octanamide
SMILESCCCCCCCC(=O)NCCS
InChIInChI=1S/C10H21NOS/c1-2-3-4-5-6-7-10(12)11-8-9-13/h13H,2-9H2,1H3,(H,11,12)
InChIKeyJLZORHOCSVVPHT-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds8

About N-(2-sulfanylethyl)octanamide

N-(2-sulfanylethyl)octanamide (PubChem CID 521749) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(2-sulfanylethyl)octanamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)octanamide
PubChem CID521749
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(2-sulfanylethyl)octanamide
SMILESCCCCCCCC(=O)NCCS
InChIInChI=1S/C10H21NOS/c1-2-3-4-5-6-7-10(12)11-8-9-13/h13H,2-9H2,1H3,(H,11,12)
InChIKeyJLZORHOCSVVPHT-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-8-sulfanyloctanamide
CID 101094845
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-pentyl-11-sulfanylundecanamide
CID 102272005
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-dodecyl-4-sulfanylbutanamide
CID 139637392
N-nonyltridecanamide
CID 154228217
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)octanamide?
The IUPAC name of N-(2-sulfanylethyl)octanamide (CID 521749) is N-(2-sulfanylethyl)octanamide.
What is the SMILES notation for N-(2-sulfanylethyl)octanamide?
The canonical SMILES for N-(2-sulfanylethyl)octanamide is CCCCCCCC(=O)NCCS.
What is the InChIKey of N-(2-sulfanylethyl)octanamide?
The InChIKey is JLZORHOCSVVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-3-4-5-6-7-10(12)11-8-9-13/h13H,2-9H2,1H3,(H,11,12).
What are the key properties of N-(2-sulfanylethyl)octanamide?
N-(2-sulfanylethyl)octanamide has a molecular weight of 203.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)octanamide is sourced from PubChem (CID 521749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).