N-hexyl-8-sulfanyloctanamide

C14H29NOS — CID 101094845

IUPACN-hexyl-8-sulfanyloctanamide
SMILESCCCCCCNC(=O)CCCCCCCS
InChIInChI=1S/C14H29NOS/c1-2-3-4-9-12-15-14(16)11-8-6-5-7-10-13-17/h17H,2-13H2,1H3,(H,15,16)
InChIKeyVMXVBGDMCWQBID-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.95
Rot. Bonds12

About N-hexyl-8-sulfanyloctanamide

N-hexyl-8-sulfanyloctanamide (PubChem CID 101094845) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-hexyl-8-sulfanyloctanamide.

Molecular Properties

Compound NameN-hexyl-8-sulfanyloctanamide
PubChem CID101094845
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-hexyl-8-sulfanyloctanamide
SMILESCCCCCCNC(=O)CCCCCCCS
InChIInChI=1S/C14H29NOS/c1-2-3-4-9-12-15-14(16)11-8-6-5-7-10-13-17/h17H,2-13H2,1H3,(H,15,16)
InChIKeyVMXVBGDMCWQBID-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.95
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-(5-sulfanylpentyl)hexanamide
CID 178061899
N-pentyl-11-sulfanylundecanamide
CID 102272005
N-dodecyl-4-sulfanylbutanamide
CID 139637392
N-pentyl-4-sulfanylbutanamide
CID 88984184
N-pentylicosanamide
CID 139961886
N-nonyltridecanamide
CID 154228217
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-hexyl-8-sulfanyloctanamide?
The IUPAC name of N-hexyl-8-sulfanyloctanamide (CID 101094845) is N-hexyl-8-sulfanyloctanamide.
What is the SMILES notation for N-hexyl-8-sulfanyloctanamide?
The canonical SMILES for N-hexyl-8-sulfanyloctanamide is CCCCCCNC(=O)CCCCCCCS.
What is the InChIKey of N-hexyl-8-sulfanyloctanamide?
The InChIKey is VMXVBGDMCWQBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-2-3-4-9-12-15-14(16)11-8-6-5-7-10-13-17/h17H,2-13H2,1H3,(H,15,16).
What are the key properties of N-hexyl-8-sulfanyloctanamide?
N-hexyl-8-sulfanyloctanamide has a molecular weight of 259.46 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-8-sulfanyloctanamide is sourced from PubChem (CID 101094845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).