5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide

C15H22N2O3S3 — CID 97424666

IUPAC5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1
InChIInChI=1S/C15H22N2O3S3/c16-23(19,20)14-7-5-12(6-8-14)11-17-15(18)4-2-1-3-13-9-10-21-22-13/h5-8,13H,1-4,9-11H2,(H,17,18)(H2,16,19,20)/t13-/m1/s1
InChIKeyUONDCGYCXKQFPL-CYBMUJFWSA-N
MW374.55 g/mol
LogP2.66
Rot. Bonds8

About 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide

5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide (PubChem CID 97424666) has the molecular formula C15H22N2O3S3 and a molecular weight of 374.55 g/mol. Its IUPAC name is 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide
PubChem CID97424666
Molecular FormulaC15H22N2O3S3
Molecular Weight374.55 g/mol
Exact Mass374.08
IUPAC Name5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1
InChIInChI=1S/C15H22N2O3S3/c16-23(19,20)14-7-5-12(6-8-14)11-17-15(18)4-2-1-3-13-9-10-21-22-13/h5-8,13H,1-4,9-11H2,(H,17,18)(H2,16,19,20)/t13-/m1/s1
InChIKeyUONDCGYCXKQFPL-CYBMUJFWSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.66
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'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[(3R)-dithiolan-3-yl]pentanamide
CID 34673752
N-[(3,4-dimethoxyphenyl)methyl]-5-(dithiolan-3-yl)pentanamide
CID 51219100
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-[(2,6-difluorophenyl)methyl]-5-[(3S)-dithiolan-3-yl]pentanamide
CID 97489011
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
5-[(3S)-dithiolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 95990302
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
5-(dithiolan-3-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pentanamide
CID 55859159
3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonic acid
CID 91864609

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide (CID 97424666) is 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The canonical SMILES for 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide is NS(=O)(=O)c1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1.
What is the InChIKey of 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The InChIKey is UONDCGYCXKQFPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3S3/c16-23(19,20)14-7-5-12(6-8-14)11-17-15(18)4-2-1-3-13-9-10-21-22-13/h5-8,13H,1-4,9-11H2,(H,17,18)(H2,16,19,20)/t13-/m1/s1.
What are the key properties of 5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide?
5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide has a molecular weight of 374.55 g/mol, XLogP of 2.66, 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-[(4-sulfamoylphenyl)methyl]pentanamide is sourced from PubChem (CID 97424666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).