5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide

C10H19NO3S2 — CID 171562314

IUPAC5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)NOCCO
InChIInChI=1S/C10H19NO3S2/c12-6-7-14-11-10(13)4-2-1-3-9-5-8-15-16-9/h9,12H,1-8H2,(H,11,13)/t9-/m1/s1
InChIKeyJIAUDEGXXONHHI-SECBINFHSA-N
MW265.40 g/mol
LogP1.74
Rot. Bonds8

About 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide

5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide (PubChem CID 171562314) has the molecular formula C10H19NO3S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide.

Molecular Properties

Compound Name5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide
PubChem CID171562314
Molecular FormulaC10H19NO3S2
Molecular Weight265.40 g/mol
Exact Mass265.08
IUPAC Name5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)NOCCO
InChIInChI=1S/C10H19NO3S2/c12-6-7-14-11-10(13)4-2-1-3-9-5-8-15-16-9/h9,12H,1-8H2,(H,11,13)/t9-/m1/s1
InChIKeyJIAUDEGXXONHHI-SECBINFHSA-N
XLogP1.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(dithiolan-3-yl)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 91757887
5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide
CID 96544742
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate
CID 101089258
5-(dithiolan-3-yl)-N-iodopentanamide
CID 90260241
N-[2-(2-aminoethoxy)ethyl]-5-(dithiolan-3-yl)pentanamide
CID 118421599
5-(dithiolan-3-yl)-N-[2-[(2-hydroxyacetyl)amino]ethyl]pentanamide
CID 87772162
2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethylcarbamic acid
CID 154463574
5-[(3R)-dithiolan-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 99737286
2-[2-[[4-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]-4-oxobutanoyl]amino]ethoxy]ethyl 7-(2-hydroxyethoxy)-4-oxoheptanoate
CID 160697150
5-(dithiolan-3-yl)pentanoic acid;hydrochloride
CID 87930761
5-(dithiolan-3-yl)pentanoyloxymethyl 5-oxohexanoate
CID 58307423
[12-(dithiolan-3-yl)-8-oxododecyl] acetate
CID 58537672

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide?
The IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide (CID 171562314) is 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide.
What is the SMILES notation for 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide?
The canonical SMILES for 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide is O=C(CCCC[C@@H]1CCSS1)NOCCO.
What is the InChIKey of 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide?
The InChIKey is JIAUDEGXXONHHI-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO3S2/c12-6-7-14-11-10(13)4-2-1-3-9-5-8-15-16-9/h9,12H,1-8H2,(H,11,13)/t9-/m1/s1.
What are the key properties of 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide?
5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide has a molecular weight of 265.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide is sourced from PubChem (CID 171562314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).