2-methyl-N-prop-2-enylpropane-2-sulfonamide

C7H15NO2S — CID 64592118

IUPAC2-methyl-N-prop-2-enylpropane-2-sulfonamide
SMILESC=CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H15NO2S/c1-5-6-8-11(9,10)7(2,3)4/h5,8H,1,6H2,2-4H3
InChIKeyAHPGOTXJZHNUPE-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.89
Rot. Bonds3

About 2-methyl-N-prop-2-enylpropane-2-sulfonamide

2-methyl-N-prop-2-enylpropane-2-sulfonamide (PubChem CID 64592118) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpropane-2-sulfonamide
PubChem CID64592118
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methyl-N-prop-2-enylpropane-2-sulfonamide
SMILESC=CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H15NO2S/c1-5-6-8-11(9,10)7(2,3)4/h5,8H,1,6H2,2-4H3
InChIKeyAHPGOTXJZHNUPE-UHFFFAOYSA-N
XLogP0.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-prop-2-enylpropane-2-sulfonamide (CID 64592118) is 2-methyl-N-prop-2-enylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-prop-2-enylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-prop-2-enylpropane-2-sulfonamide is C=CCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enylpropane-2-sulfonamide?
The InChIKey is AHPGOTXJZHNUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5-6-8-11(9,10)7(2,3)4/h5,8H,1,6H2,2-4H3.
What are the key properties of 2-methyl-N-prop-2-enylpropane-2-sulfonamide?
2-methyl-N-prop-2-enylpropane-2-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpropane-2-sulfonamide is sourced from PubChem (CID 64592118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).