N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine

C19H32N4O3S — CID 110624557

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H32N4O3S/c1-26-19-10-5-4-9-18(19)23-15-13-22(14-16-23)12-6-11-20-27(24,25)21-17-7-2-3-8-17/h4-5,9-10,17,20-21H,2-3,6-8,11-16H2,1H3
InChIKeyXIRKZMGKICXHQK-UHFFFAOYSA-N
MW396.56 g/mol
LogP1.57
Rot. Bonds9

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine (PubChem CID 110624557) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
PubChem CID110624557
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H32N4O3S/c1-26-19-10-5-4-9-18(19)23-15-13-22(14-16-23)12-6-11-20-27(24,25)21-17-7-2-3-8-17/h4-5,9-10,17,20-21H,2-3,6-8,11-16H2,1H3
InChIKeyXIRKZMGKICXHQK-UHFFFAOYSA-N
XLogP1.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388653
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
5-(dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-1-sulfonamide
CID 44598727
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267824
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine (CID 110624557) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine is COc1ccccc1N1CCN(CCCNS(=O)(=O)NC2CCCC2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine?
The InChIKey is XIRKZMGKICXHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-26-19-10-5-4-9-18(19)23-15-13-22(14-16-23)12-6-11-20-27(24,25)21-17-7-2-3-8-17/h4-5,9-10,17,20-21H,2-3,6-8,11-16H2,1H3.
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine has a molecular weight of 396.56 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine is sourced from PubChem (CID 110624557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).