N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide

C9H20N4O3S — CID 60722046

IUPACN-tert-butyl-4-sulfamoylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N4O3S/c1-9(2,3)11-8(14)12-4-6-13(7-5-12)17(10,15)16/h4-7H2,1-3H3,(H,11,14)(H2,10,15,16)
InChIKeyACHLGUUIYZRAJH-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.68
Rot. Bonds1

About N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide

N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide (PubChem CID 60722046) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-sulfamoylpiperazine-1-carboxamide
PubChem CID60722046
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN-tert-butyl-4-sulfamoylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N4O3S/c1-9(2,3)11-8(14)12-4-6-13(7-5-12)17(10,15)16/h4-7H2,1-3H3,(H,11,14)(H2,10,15,16)
InChIKeyACHLGUUIYZRAJH-UHFFFAOYSA-N
XLogP-0.68
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide (CID 60722046) is N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide?
The InChIKey is ACHLGUUIYZRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-9(2,3)11-8(14)12-4-6-13(7-5-12)17(10,15)16/h4-7H2,1-3H3,(H,11,14)(H2,10,15,16).
What are the key properties of N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide?
N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-sulfamoylpiperazine-1-carboxamide is sourced from PubChem (CID 60722046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).