1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine

C13H22N4O2S — CID 62657531

IUPAC1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
SMILESCN1CCC(CNc2cccc(NS(N)(=O)=O)c2)CC1
InChIInChI=1S/C13H22N4O2S/c1-17-7-5-11(6-8-17)10-15-12-3-2-4-13(9-12)16-20(14,18)19/h2-4,9,11,15-16H,5-8,10H2,1H3,(H2,14,18,19)
InChIKeyYQWSDGCZLACNLN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.06
Rot. Bonds5

About 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine

1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine (PubChem CID 62657531) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
PubChem CID62657531
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
SMILESCN1CCC(CNc2cccc(NS(N)(=O)=O)c2)CC1
InChIInChI=1S/C13H22N4O2S/c1-17-7-5-11(6-8-17)10-15-12-3-2-4-13(9-12)16-20(14,18)19/h2-4,9,11,15-16H,5-8,10H2,1H3,(H2,14,18,19)
InChIKeyYQWSDGCZLACNLN-UHFFFAOYSA-N
XLogP1.06
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine?
The IUPAC name of 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine (CID 62657531) is 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine is CN1CCC(CNc2cccc(NS(N)(=O)=O)c2)CC1.
What is the InChIKey of 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine?
The InChIKey is YQWSDGCZLACNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-17-7-5-11(6-8-17)10-15-12-3-2-4-13(9-12)16-20(14,18)19/h2-4,9,11,15-16H,5-8,10H2,1H3,(H2,14,18,19).
What are the key properties of 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine?
1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine has a molecular weight of 298.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine is sourced from PubChem (CID 62657531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).