1-[4-(dimethylsulfamoylamino)phenyl]piperidine

C13H21N3O2S — CID 110756594

IUPAC1-[4-(dimethylsulfamoylamino)phenyl]piperidine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-15(2)19(17,18)14-12-6-8-13(9-7-12)16-10-4-3-5-11-16/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyALRAIHSQJHCILQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.90
Rot. Bonds4

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

1-[4-(dimethylsulfamoylamino)phenyl]piperidine (PubChem CID 110756594) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)phenyl]piperidine
PubChem CID110756594
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[4-(dimethylsulfamoylamino)phenyl]piperidine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-15(2)19(17,18)14-12-6-8-13(9-7-12)16-10-4-3-5-11-16/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyALRAIHSQJHCILQ-UHFFFAOYSA-N
XLogP1.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.90
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

1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
2-[4-(dimethylsulfamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline
CID 112983357
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
CID 110666756
1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
CID 42451286
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]piperidine (CID 110756594) is 1-[4-(dimethylsulfamoylamino)phenyl]piperidine.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)phenyl]piperidine is CN(C)S(=O)(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
The InChIKey is ALRAIHSQJHCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15(2)19(17,18)14-12-6-8-13(9-7-12)16-10-4-3-5-11-16/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[4-(dimethylsulfamoylamino)phenyl]piperidine?
1-[4-(dimethylsulfamoylamino)phenyl]piperidine has a molecular weight of 283.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)phenyl]piperidine is sourced from PubChem (CID 110756594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).