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

C8H16N2O2S — CID 14617450

IUPACN-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C8H16N2O2S/c1-5-8-9(4)13(11,12)10(6-2)7-3/h1H,6-8H2,2-4H3
InChIKeyCAPBLEIPLLZTNY-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.14
Rot. Bonds5

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

N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine (PubChem CID 14617450) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine
PubChem CID14617450
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C8H16N2O2S/c1-5-8-9(4)13(11,12)10(6-2)7-3/h1H,6-8H2,2-4H3
InChIKeyCAPBLEIPLLZTNY-UHFFFAOYSA-N
XLogP0.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.14
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-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine?
The IUPAC name of N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine (CID 14617450) is N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine is C#CCN(C)S(=O)(=O)N(CC)CC.
What is the InChIKey of N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine?
The InChIKey is CAPBLEIPLLZTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-5-8-9(4)13(11,12)10(6-2)7-3/h1H,6-8H2,2-4H3.
What are the key properties of N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine?
N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine has a molecular weight of 204.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylsulfamoyl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 14617450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).