4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine

C20H27N3O2S — CID 112985417

IUPAC4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-22(2)26(24,25)21-19-8-10-20(11-9-19)23-14-12-18(13-15-23)16-17-6-4-3-5-7-17/h3-11,18,21H,12-16H2,1-2H3
InChIKeyIKEPYANNWPNTGN-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.36
Rot. Bonds6

About 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine

4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine (PubChem CID 112985417) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
PubChem CID112985417
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-22(2)26(24,25)21-19-8-10-20(11-9-19)23-14-12-18(13-15-23)16-17-6-4-3-5-7-17/h3-11,18,21H,12-16H2,1-2H3
InChIKeyIKEPYANNWPNTGN-UHFFFAOYSA-N
XLogP3.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
CID 113015482
1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
CID 42451286
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine
CID 110452589
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
2-[4-(dimethylsulfamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline
CID 112983357
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
The IUPAC name of 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine (CID 112985417) is 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
The canonical SMILES for 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine is CN(C)S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
The InChIKey is IKEPYANNWPNTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-22(2)26(24,25)21-19-8-10-20(11-9-19)23-14-12-18(13-15-23)16-17-6-4-3-5-7-17/h3-11,18,21H,12-16H2,1-2H3.
What are the key properties of 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine has a molecular weight of 373.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine is sourced from PubChem (CID 112985417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).