5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide

C15H28N2OS2 — CID 71826784

IUPAC5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide
SMILESCCN1CCCC1CNC(=O)CCCCC1CCSS1
InChIInChI=1S/C15H28N2OS2/c1-2-17-10-5-6-13(17)12-16-15(18)8-4-3-7-14-9-11-19-20-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyROFNCWBUKFALJH-UHFFFAOYSA-N
MW316.54 g/mol
LogP3.30
Rot. Bonds8

About 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide

5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide (PubChem CID 71826784) has the molecular formula C15H28N2OS2 and a molecular weight of 316.54 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide
PubChem CID71826784
Molecular FormulaC15H28N2OS2
Molecular Weight316.54 g/mol
Exact Mass316.16
IUPAC Name5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide
SMILESCCN1CCCC1CNC(=O)CCCCC1CCSS1
InChIInChI=1S/C15H28N2OS2/c1-2-17-10-5-6-13(17)12-16-15(18)8-4-3-7-14-9-11-19-20-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyROFNCWBUKFALJH-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3S)-dithiolan-3-yl]-N-(oxan-4-ylmethyl)pentanamide
CID 96544591
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447348
5-(dithiolan-3-yl)-N-iodopentanamide
CID 90260241
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
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[2-[5-(dithiolan-3-yl)pentanoylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 123764895
methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 45252540
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
5-[(3R)-dithiolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 95990301
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[2-(2-aminoethoxy)ethyl]-5-(dithiolan-3-yl)pentanamide
CID 118421599

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide (CID 71826784) is 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide is CCN1CCCC1CNC(=O)CCCCC1CCSS1.
What is the InChIKey of 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide?
The InChIKey is ROFNCWBUKFALJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS2/c1-2-17-10-5-6-13(17)12-16-15(18)8-4-3-7-14-9-11-19-20-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide?
5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide has a molecular weight of 316.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide is sourced from PubChem (CID 71826784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).