N-(methylsulfamoyl)but-3-yn-1-amine

C5H10N2O2S — CID 114812577

IUPACN-(methylsulfamoyl)but-3-yn-1-amine
SMILESC#CCCNS(=O)(=O)NC
InChIInChI=1S/C5H10N2O2S/c1-3-4-5-7-10(8,9)6-2/h1,6-7H,4-5H2,2H3
InChIKeyMENANPHNDLGYSA-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.94
Rot. Bonds4

About N-(methylsulfamoyl)but-3-yn-1-amine

N-(methylsulfamoyl)but-3-yn-1-amine (PubChem CID 114812577) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(methylsulfamoyl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-(methylsulfamoyl)but-3-yn-1-amine
PubChem CID114812577
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(methylsulfamoyl)but-3-yn-1-amine
SMILESC#CCCNS(=O)(=O)NC
InChIInChI=1S/C5H10N2O2S/c1-3-4-5-7-10(8,9)6-2/h1,6-7H,4-5H2,2H3
InChIKeyMENANPHNDLGYSA-UHFFFAOYSA-N
XLogP-0.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(methylsulfamoyl)but-3-yn-1-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-(methylsulfamoyl)but-3-yn-1-amine?
The IUPAC name of N-(methylsulfamoyl)but-3-yn-1-amine (CID 114812577) is N-(methylsulfamoyl)but-3-yn-1-amine.
What is the SMILES notation for N-(methylsulfamoyl)but-3-yn-1-amine?
The canonical SMILES for N-(methylsulfamoyl)but-3-yn-1-amine is C#CCCNS(=O)(=O)NC.
What is the InChIKey of N-(methylsulfamoyl)but-3-yn-1-amine?
The InChIKey is MENANPHNDLGYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-4-5-7-10(8,9)6-2/h1,6-7H,4-5H2,2H3.
What are the key properties of N-(methylsulfamoyl)but-3-yn-1-amine?
N-(methylsulfamoyl)but-3-yn-1-amine has a molecular weight of 162.21 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)but-3-yn-1-amine is sourced from PubChem (CID 114812577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).