1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine

C18H26N4O2S2 — CID 42432621

IUPAC1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCC(NCc3cccs3)CC2)cc1
InChIInChI=1S/C18H26N4O2S2/c1-21(2)26(23,24)20-16-5-7-17(8-6-16)22-11-9-15(10-12-22)19-14-18-4-3-13-25-18/h3-8,13,15,19-20H,9-12,14H2,1-2H3
InChIKeyNUFVFFXGFLCGPE-UHFFFAOYSA-N
MW394.57 g/mol
LogP2.72
Rot. Bonds7

About 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine

1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine (PubChem CID 42432621) has the molecular formula C18H26N4O2S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine
PubChem CID42432621
Molecular FormulaC18H26N4O2S2
Molecular Weight394.57 g/mol
Exact Mass394.15
IUPAC Name1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCC(NCc3cccs3)CC2)cc1
InChIInChI=1S/C18H26N4O2S2/c1-21(2)26(23,24)20-16-5-7-17(8-6-16)22-11-9-15(10-12-22)19-14-18-4-3-13-25-18/h3-8,13,15,19-20H,9-12,14H2,1-2H3
InChIKeyNUFVFFXGFLCGPE-UHFFFAOYSA-N
XLogP2.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine (CID 42432621) is 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine is CN(C)S(=O)(=O)Nc1ccc(N2CCC(NCc3cccs3)CC2)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine?
The InChIKey is NUFVFFXGFLCGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S2/c1-21(2)26(23,24)20-16-5-7-17(8-6-16)22-11-9-15(10-12-22)19-14-18-4-3-13-25-18/h3-8,13,15,19-20H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine?
1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine has a molecular weight of 394.57 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine is sourced from PubChem (CID 42432621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).