N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine

C12H19N3O2S2 — CID 114812208

IUPACN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NS(=O)(=O)NCc1sccc1C#CCN
InChIInChI=1S/C12H19N3O2S2/c1-12(2,3)15-19(16,17)14-9-11-10(5-4-7-13)6-8-18-11/h6,8,14-15H,7,9,13H2,1-3H3
InChIKeyPDDLEDVPDTZMJZ-UHFFFAOYSA-N
MW301.44 g/mol
LogP0.78
Rot. Bonds4

About N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine (PubChem CID 114812208) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine
PubChem CID114812208
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NS(=O)(=O)NCc1sccc1C#CCN
InChIInChI=1S/C12H19N3O2S2/c1-12(2,3)15-19(16,17)14-9-11-10(5-4-7-13)6-8-18-11/h6,8,14-15H,7,9,13H2,1-3H3
InChIKeyPDDLEDVPDTZMJZ-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine 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-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine (CID 114812208) is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine is CC(C)(C)NS(=O)(=O)NCc1sccc1C#CCN.
What is the InChIKey of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine?
The InChIKey is PDDLEDVPDTZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-12(2,3)15-19(16,17)14-9-11-10(5-4-7-13)6-8-18-11/h6,8,14-15H,7,9,13H2,1-3H3.
What are the key properties of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine?
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine has a molecular weight of 301.44 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114812208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).