2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine

C6H12N2O2S — CID 114812571

IUPAC2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine
SMILESC#CC(C)(C)NS(=O)(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-5-6(2,3)8-11(9,10)7-4/h1,7-8H,2-4H3
InChIKeyCYDTZWURIQUVAT-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.55
Rot. Bonds3

About 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine

2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine (PubChem CID 114812571) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine
PubChem CID114812571
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine
SMILESC#CC(C)(C)NS(=O)(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-5-6(2,3)8-11(9,10)7-4/h1,7-8H,2-4H3
InChIKeyCYDTZWURIQUVAT-UHFFFAOYSA-N
XLogP-0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbut-3-yn-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842086
4-iodo-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 25044697
2-methyl-2-(methylsulfamoylamino)butanenitrile
CID 114807719
N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide
CID 87722828
2-amino-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63999104
N-(2-methylbut-3-yn-2-yl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 86645350
2-cyano-N-methylpropane-2-sulfonamide
CID 118172771
2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol
CID 107866794
2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine
CID 114811263
N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride
CID 86154295
3-amino-2-bromo-5-chloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63997482
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
CID 63999689

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine?
The IUPAC name of 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine (CID 114812571) is 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine is C#CC(C)(C)NS(=O)(=O)NC.
What is the InChIKey of 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine?
The InChIKey is CYDTZWURIQUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-5-6(2,3)8-11(9,10)7-4/h1,7-8H,2-4H3.
What are the key properties of 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine?
2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine has a molecular weight of 176.24 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine is sourced from PubChem (CID 114812571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).