N-(cyclopentylmethyl)-11-sulfanylundecanamide

C17H33NOS — CID 59137895

IUPACN-(cyclopentylmethyl)-11-sulfanylundecanamide
SMILESO=C(CCCCCCCCCCS)NCC1CCCC1
InChIInChI=1S/C17H33NOS/c19-17(18-15-16-11-8-9-12-16)13-7-5-3-1-2-4-6-10-14-20/h16,20H,1-15H2,(H,18,19)
InChIKeyOMPCVVPTMPWEEH-UHFFFAOYSA-N
MW299.52 g/mol
LogP4.73
Rot. Bonds12

About N-(cyclopentylmethyl)-11-sulfanylundecanamide

N-(cyclopentylmethyl)-11-sulfanylundecanamide (PubChem CID 59137895) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-11-sulfanylundecanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-11-sulfanylundecanamide
PubChem CID59137895
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC NameN-(cyclopentylmethyl)-11-sulfanylundecanamide
SMILESO=C(CCCCCCCCCCS)NCC1CCCC1
InChIInChI=1S/C17H33NOS/c19-17(18-15-16-11-8-9-12-16)13-7-5-3-1-2-4-6-10-14-20/h16,20H,1-15H2,(H,18,19)
InChIKeyOMPCVVPTMPWEEH-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
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-hexadecylcyclopentanecarboxamide
CID 46230476
N-(2-sulfanylethyl)octadecanamide
CID 301648
N-(2-ethylhexyl)octadecanamide
CID 151289703
2-(2-cyclopentylethyl)-N-ethyldecanamide
CID 156013734
3-cyclopentyl-N-ethylpropanamide
CID 918357
Propanamide, 3-cyclopentyl-N-butyl-
CID 3319650
Dodecanamide, N-2-ethylhexyl-
CID 4153026
Propanamide, 3-cyclopentyl-N-hexyl-
CID 4219309
Propanamide, 3-cyclopentyl-N-pentyl-
CID 4300171
Propanamide, 3-cyclopentyl-N-propyl-
CID 4380993
N-(2-Sulfanylethyl)hexadecanamide
CID 54235350
Propanamide, 3-cyclopentyl-N-isobutyl-
CID 918369

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-11-sulfanylundecanamide?
The IUPAC name of N-(cyclopentylmethyl)-11-sulfanylundecanamide (CID 59137895) is N-(cyclopentylmethyl)-11-sulfanylundecanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-11-sulfanylundecanamide?
The canonical SMILES for N-(cyclopentylmethyl)-11-sulfanylundecanamide is O=C(CCCCCCCCCCS)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-11-sulfanylundecanamide?
The InChIKey is OMPCVVPTMPWEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c19-17(18-15-16-11-8-9-12-16)13-7-5-3-1-2-4-6-10-14-20/h16,20H,1-15H2,(H,18,19).
What are the key properties of N-(cyclopentylmethyl)-11-sulfanylundecanamide?
N-(cyclopentylmethyl)-11-sulfanylundecanamide has a molecular weight of 299.52 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-11-sulfanylundecanamide is sourced from PubChem (CID 59137895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).