1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine

C13H22N4O2S — CID 44537025

IUPAC1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine
SMILESNS(=O)(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H22N4O2S/c14-20(18,19)15-7-4-8-16-9-11-17(12-10-16)13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2,(H2,14,18,19)
InChIKeyTYVBKGWIDZZCDS-UHFFFAOYSA-N
MW298.41 g/mol
LogP-0.01
Rot. Bonds6

About 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine

1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine (PubChem CID 44537025) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine
PubChem CID44537025
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine
SMILESNS(=O)(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H22N4O2S/c14-20(18,19)15-7-4-8-16-9-11-17(12-10-16)13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2,(H2,14,18,19)
InChIKeyTYVBKGWIDZZCDS-UHFFFAOYSA-N
XLogP-0.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine?
The IUPAC name of 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine (CID 44537025) is 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine?
The canonical SMILES for 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine is NS(=O)(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine?
The InChIKey is TYVBKGWIDZZCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c14-20(18,19)15-7-4-8-16-9-11-17(12-10-16)13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2,(H2,14,18,19).
What are the key properties of 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine?
1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine has a molecular weight of 298.41 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[3-(sulfamoylamino)propyl]piperazine is sourced from PubChem (CID 44537025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).