1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine

C16H28N4O3S — CID 110284680

IUPAC1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H28N4O3S/c1-18(2)24(21,22)17-9-6-10-19-11-13-20(14-12-19)15-7-4-5-8-16(15)23-3/h4-5,7-8,17H,6,9-14H2,1-3H3
InChIKeyZLKGVTQLJJAWTK-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.60
Rot. Bonds8

About 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine

1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 110284680) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID110284680
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H28N4O3S/c1-18(2)24(21,22)17-9-6-10-19-11-13-20(14-12-19)15-7-4-5-8-16(15)23-3/h4-5,7-8,17H,6,9-14H2,1-3H3
InChIKeyZLKGVTQLJJAWTK-UHFFFAOYSA-N
XLogP0.60
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
CID 110624557
5-(dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-1-sulfonamide
CID 44598727
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388653
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
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
2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267824
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344573
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine (CID 110284680) is 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCNS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is ZLKGVTQLJJAWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-18(2)24(21,22)17-9-6-10-19-11-13-20(14-12-19)15-7-4-5-8-16(15)23-3/h4-5,7-8,17H,6,9-14H2,1-3H3.
What are the key properties of 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 356.49 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 110284680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).