N-(5-sulfanylpentyl)hexanamide

C11H23NOS — CID 178061899

IUPACN-(5-sulfanylpentyl)hexanamide
SMILESCCCCCC(=O)NCCCCCS
InChIInChI=1S/C11H23NOS/c1-2-3-5-8-11(13)12-9-6-4-7-10-14/h14H,2-10H2,1H3,(H,12,13)
InChIKeyBYWOMGNQZVAFEO-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.78
Rot. Bonds9

About N-(5-sulfanylpentyl)hexanamide

N-(5-sulfanylpentyl)hexanamide (PubChem CID 178061899) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(5-sulfanylpentyl)hexanamide.

Molecular Properties

Compound NameN-(5-sulfanylpentyl)hexanamide
PubChem CID178061899
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(5-sulfanylpentyl)hexanamide
SMILESCCCCCC(=O)NCCCCCS
InChIInChI=1S/C11H23NOS/c1-2-3-5-8-11(13)12-9-6-4-7-10-14/h14H,2-10H2,1H3,(H,12,13)
InChIKeyBYWOMGNQZVAFEO-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.78
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-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-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-(5-sulfanylpentyl)hexanamide?
The IUPAC name of N-(5-sulfanylpentyl)hexanamide (CID 178061899) is N-(5-sulfanylpentyl)hexanamide.
What is the SMILES notation for N-(5-sulfanylpentyl)hexanamide?
The canonical SMILES for N-(5-sulfanylpentyl)hexanamide is CCCCCC(=O)NCCCCCS.
What is the InChIKey of N-(5-sulfanylpentyl)hexanamide?
The InChIKey is BYWOMGNQZVAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-3-5-8-11(13)12-9-6-4-7-10-14/h14H,2-10H2,1H3,(H,12,13).
What are the key properties of N-(5-sulfanylpentyl)hexanamide?
N-(5-sulfanylpentyl)hexanamide has a molecular weight of 217.38 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfanylpentyl)hexanamide is sourced from PubChem (CID 178061899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).