N-ethyl-N-prop-2-ynylpropane-2-sulfonamide

C8H15NO2S — CID 78970102

IUPACN-ethyl-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCN(CC)S(=O)(=O)C(C)C
InChIInChI=1S/C8H15NO2S/c1-5-7-9(6-2)12(10,11)8(3)4/h1,8H,6-7H2,2-4H3
InChIKeyXKIMOZUBQADVES-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.68
Rot. Bonds4

About N-ethyl-N-prop-2-ynylpropane-2-sulfonamide

N-ethyl-N-prop-2-ynylpropane-2-sulfonamide (PubChem CID 78970102) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynylpropane-2-sulfonamide
PubChem CID78970102
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-ethyl-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCN(CC)S(=O)(=O)C(C)C
InChIInChI=1S/C8H15NO2S/c1-5-7-9(6-2)12(10,11)8(3)4/h1,8H,6-7H2,2-4H3
InChIKeyXKIMOZUBQADVES-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.68
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-N-prop-2-ynylpropane-2-sulfonamide?
The IUPAC name of N-ethyl-N-prop-2-ynylpropane-2-sulfonamide (CID 78970102) is N-ethyl-N-prop-2-ynylpropane-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynylpropane-2-sulfonamide?
The canonical SMILES for N-ethyl-N-prop-2-ynylpropane-2-sulfonamide is C#CCN(CC)S(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-N-prop-2-ynylpropane-2-sulfonamide?
The InChIKey is XKIMOZUBQADVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5-7-9(6-2)12(10,11)8(3)4/h1,8H,6-7H2,2-4H3.
What are the key properties of N-ethyl-N-prop-2-ynylpropane-2-sulfonamide?
N-ethyl-N-prop-2-ynylpropane-2-sulfonamide has a molecular weight of 189.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynylpropane-2-sulfonamide is sourced from PubChem (CID 78970102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).