3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride

C14H25ClN4O3S2 — CID 119392093

IUPAC3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C14H24N4O3S2.ClH/c1-17(2)23(20,21)12-4-11-22-13(12)14(19)16-5-3-8-18-9-6-15-7-10-18;/h4,11,15H,3,5-10H2,1-2H3,(H,16,19);1H
InChIKeyOVMYEZLDMRRGOK-UHFFFAOYSA-N
MW396.97 g/mol
LogP0.45
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride

3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119392093) has the molecular formula C14H25ClN4O3S2 and a molecular weight of 396.97 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119392093
Molecular FormulaC14H25ClN4O3S2
Molecular Weight396.97 g/mol
Exact Mass396.11
IUPAC Name3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C14H24N4O3S2.ClH/c1-17(2)23(20,21)12-4-11-22-13(12)14(19)16-5-3-8-18-9-6-15-7-10-18;/h4,11,15H,3,5-10H2,1-2H3,(H,16,19);1H
InChIKeyOVMYEZLDMRRGOK-UHFFFAOYSA-N
XLogP0.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.97
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747
N-[4-(4-ethylpiperazin-1-yl)butyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 78871188
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119431684
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride (CID 119392093) is 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride is CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is OVMYEZLDMRRGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S2.ClH/c1-17(2)23(20,21)12-4-11-22-13(12)14(19)16-5-3-8-18-9-6-15-7-10-18;/h4,11,15H,3,5-10H2,1-2H3,(H,16,19);1H.
What are the key properties of 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 396.97 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119392093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).