5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide

C11H21NO2S2 — CID 96544742

IUPAC5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide
SMILESO=C(CCCC[C@H]1CCSS1)NCCCO
InChIInChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1
InChIKeyQPQPASXMSHOHIW-JTQLQIEISA-N
MW263.43 g/mol
LogP2.20
Rot. Bonds8

About 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide

5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide (PubChem CID 96544742) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide
PubChem CID96544742
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC Name5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide
SMILESO=C(CCCC[C@H]1CCSS1)NCCCO
InChIInChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1
InChIKeyQPQPASXMSHOHIW-JTQLQIEISA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dithiolan-3-yl)-N-[2-[(2-hydroxyacetyl)amino]ethyl]pentanamide
CID 87772162
5-(dithiolan-3-yl)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 91757887
3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonic acid
CID 91864609
9-(dithiolan-3-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]nonanamide
CID 118143890
2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethylcarbamic acid
CID 154463574
N-[2-(2-aminoethoxy)ethyl]-5-(dithiolan-3-yl)pentanamide
CID 118421599
(E)-4-[2-[5-(dithiolan-3-yl)pentanoylamino]ethylamino]-2-methyl-4-oxobut-2-enoic acid
CID 44609293
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
5-(dithiolan-3-yl)-N-iodopentanamide
CID 90260241
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078205
dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane
CID 142801156
5-[(3R)-dithiolan-3-yl]-N-(2-hydroxyethoxy)pentanamide
CID 171562314

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide?
The IUPAC name of 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide (CID 96544742) is 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide.
What is the SMILES notation for 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide?
The canonical SMILES for 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide is O=C(CCCC[C@H]1CCSS1)NCCCO.
What is the InChIKey of 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide?
The InChIKey is QPQPASXMSHOHIW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1.
What are the key properties of 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide?
5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide has a molecular weight of 263.43 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide is sourced from PubChem (CID 96544742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).