3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine

C21H29N3O2S — CID 23723984

IUPAC3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine
SMILESCN(C)S(=O)(=O)NCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H29N3O2S/c1-23(2)27(25,26)22-15-19-7-6-14-24(17-19)16-18-10-12-21(13-11-18)20-8-4-3-5-9-20/h3-5,8-13,19,22H,6-7,14-17H2,1-2H3
InChIKeyFSZPVDMIPVWMIO-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.96
Rot. Bonds7

About 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine

3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine (PubChem CID 23723984) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine
PubChem CID23723984
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine
SMILESCN(C)S(=O)(=O)NCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H29N3O2S/c1-23(2)27(25,26)22-15-19-7-6-14-24(17-19)16-18-10-12-21(13-11-18)20-8-4-3-5-9-20/h3-5,8-13,19,22H,6-7,14-17H2,1-2H3
InChIKeyFSZPVDMIPVWMIO-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine (CID 23723984) is 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine is CN(C)S(=O)(=O)NCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine?
The InChIKey is FSZPVDMIPVWMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-23(2)27(25,26)22-15-19-7-6-14-24(17-19)16-18-10-12-21(13-11-18)20-8-4-3-5-9-20/h3-5,8-13,19,22H,6-7,14-17H2,1-2H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine?
3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine has a molecular weight of 387.55 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-1-[(4-phenylphenyl)methyl]piperidine is sourced from PubChem (CID 23723984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).