N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine

C9H18N2O2S — CID 78970133

IUPACN-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine
SMILESC#CCN(CC)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H18N2O2S/c1-6-8-11(7-2)14(12,13)10(5)9(3)4/h1,9H,7-8H2,2-5H3
InChIKeyLVWSOMNVZALDSX-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.53
Rot. Bonds5

About N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine

N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine (PubChem CID 78970133) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine
PubChem CID78970133
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine
SMILESC#CCN(CC)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H18N2O2S/c1-6-8-11(7-2)14(12,13)10(5)9(3)4/h1,9H,7-8H2,2-5H3
InChIKeyLVWSOMNVZALDSX-UHFFFAOYSA-N
XLogP0.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.53
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-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine?
The IUPAC name of N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine (CID 78970133) is N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine is C#CCN(CC)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine?
The InChIKey is LVWSOMNVZALDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-6-8-11(7-2)14(12,13)10(5)9(3)4/h1,9H,7-8H2,2-5H3.
What are the key properties of N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine?
N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine has a molecular weight of 218.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(prop-2-ynyl)sulfamoyl]-N-methylpropan-2-amine is sourced from PubChem (CID 78970133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).