N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide

C18H31N3O2S — CID 60580865

IUPACN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C18H31N3O2S/c1-3-15-24(22,23)19-9-4-5-10-20-11-13-21(14-12-20)18-8-6-7-17(2)16-18/h6-8,16,19H,3-5,9-15H2,1-2H3
InChIKeyKDXXBABQXCXNHC-UHFFFAOYSA-N
MW353.53 g/mol
LogP2.23
Rot. Bonds9

About N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide (PubChem CID 60580865) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
PubChem CID60580865
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C18H31N3O2S/c1-3-15-24(22,23)19-9-4-5-10-20-11-13-21(14-12-20)18-8-6-7-17(2)16-18/h6-8,16,19H,3-5,9-15H2,1-2H3
InChIKeyKDXXBABQXCXNHC-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide 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

4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine
CID 62573588
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]methanesulfonamide
CID 55681880
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266845
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide
CID 55819973
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
1-ethylsulfonyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-4-carboxamide
CID 55671400
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 34266967
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide (CID 60580865) is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide?
The InChIKey is KDXXBABQXCXNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-3-15-24(22,23)19-9-4-5-10-20-11-13-21(14-12-20)18-8-6-7-17(2)16-18/h6-8,16,19H,3-5,9-15H2,1-2H3.
What are the key properties of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide?
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide has a molecular weight of 353.53 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide is sourced from PubChem (CID 60580865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).