N-pentyl-11-sulfanylundecanamide

C16H33NOS — CID 102272005

IUPACN-pentyl-11-sulfanylundecanamide
SMILESCCCCCNC(=O)CCCCCCCCCCS
InChIInChI=1S/C16H33NOS/c1-2-3-11-14-17-16(18)13-10-8-6-4-5-7-9-12-15-19/h19H,2-15H2,1H3,(H,17,18)
InChIKeyAKNZWXJAAKZQAY-UHFFFAOYSA-N
MW287.51 g/mol
LogP4.73
Rot. Bonds14

About N-pentyl-11-sulfanylundecanamide

N-pentyl-11-sulfanylundecanamide (PubChem CID 102272005) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is N-pentyl-11-sulfanylundecanamide.

Molecular Properties

Compound NameN-pentyl-11-sulfanylundecanamide
PubChem CID102272005
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC NameN-pentyl-11-sulfanylundecanamide
SMILESCCCCCNC(=O)CCCCCCCCCCS
InChIInChI=1S/C16H33NOS/c1-2-3-11-14-17-16(18)13-10-8-6-4-5-7-9-12-15-19/h19H,2-15H2,1H3,(H,17,18)
InChIKeyAKNZWXJAAKZQAY-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 54.73
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-dodecyl-4-sulfanylbutanamide
CID 139637392
N-pentyl-4-sulfanylbutanamide
CID 88984184
N-pentylicosanamide
CID 139961886
N-nonyltridecanamide
CID 154228217
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
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-pentyl-11-sulfanylundecanamide?
The IUPAC name of N-pentyl-11-sulfanylundecanamide (CID 102272005) is N-pentyl-11-sulfanylundecanamide.
What is the SMILES notation for N-pentyl-11-sulfanylundecanamide?
The canonical SMILES for N-pentyl-11-sulfanylundecanamide is CCCCCNC(=O)CCCCCCCCCCS.
What is the InChIKey of N-pentyl-11-sulfanylundecanamide?
The InChIKey is AKNZWXJAAKZQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-2-3-11-14-17-16(18)13-10-8-6-4-5-7-9-12-15-19/h19H,2-15H2,1H3,(H,17,18).
What are the key properties of N-pentyl-11-sulfanylundecanamide?
N-pentyl-11-sulfanylundecanamide has a molecular weight of 287.51 g/mol, XLogP of 4.73, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-11-sulfanylundecanamide is sourced from PubChem (CID 102272005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).