N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine

C6H12N2O2S — CID 13295156

IUPACN-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H12N2O2S/c1-5-6-8(4)11(9,10)7(2)3/h1H,6H2,2-4H3
InChIKeyZHZAHBCNYXDWDZ-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.64
Rot. Bonds3

About N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine

N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine (PubChem CID 13295156) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine
PubChem CID13295156
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H12N2O2S/c1-5-6-8(4)11(9,10)7(2)3/h1H,6H2,2-4H3
InChIKeyZHZAHBCNYXDWDZ-UHFFFAOYSA-N
XLogP-0.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine?
The IUPAC name of N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine (CID 13295156) is N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine is C#CCN(C)S(=O)(=O)N(C)C.
What is the InChIKey of N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine?
The InChIKey is ZHZAHBCNYXDWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-5-6-8(4)11(9,10)7(2)3/h1H,6H2,2-4H3.
What are the key properties of N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine?
N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine has a molecular weight of 176.24 g/mol, XLogP of -0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 13295156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).