4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline

C17H28N4O2S — CID 110621030

IUPAC4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
SMILESCCNS(=O)(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C17H28N4O2S/c1-2-18-24(22,23)19-15-7-9-17(10-8-15)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16,18-19H,2-6,11-14H2,1H3
InChIKeyYFMGDEHKJNLPNP-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.02
Rot. Bonds6

About 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline

4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline (PubChem CID 110621030) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
PubChem CID110621030
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
SMILESCCNS(=O)(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C17H28N4O2S/c1-2-18-24(22,23)19-15-7-9-17(10-8-15)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16,18-19H,2-6,11-14H2,1H3
InChIKeyYFMGDEHKJNLPNP-UHFFFAOYSA-N
XLogP2.02
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110288099
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
ethyl 2-[4-(4-cyclopentylpiperazin-1-yl)anilino]-2-oxoacetate
CID 112502760
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 62368802
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide
CID 20630295
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
CID 110627182
1-cycloheptyl-4-phenylpiperazine
CID 2846720

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline (CID 110621030) is 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline is CCNS(=O)(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline?
The InChIKey is YFMGDEHKJNLPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-2-18-24(22,23)19-15-7-9-17(10-8-15)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16,18-19H,2-6,11-14H2,1H3.
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline?
4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline has a molecular weight of 352.50 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline is sourced from PubChem (CID 110621030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).