N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide

C9H15NO2S — CID 102219436

IUPACN-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(CC=C(C)C)S(C)(=O)=O
InChIInChI=1S/C9H15NO2S/c1-5-7-10(13(4,11)12)8-6-9(2)3/h1,6H,7-8H2,2-4H3
InChIKeyFTAOPYGCGODEKU-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.85
Rot. Bonds4

About N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide

N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide (PubChem CID 102219436) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide
PubChem CID102219436
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(CC=C(C)C)S(C)(=O)=O
InChIInChI=1S/C9H15NO2S/c1-5-7-10(13(4,11)12)8-6-9(2)3/h1,6H,7-8H2,2-4H3
InChIKeyFTAOPYGCGODEKU-UHFFFAOYSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide
CID 135036402
N-(3-methylbut-2-enyl)-1-phenyl-N-prop-2-ynylmethanesulfonamide
CID 102219438
fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide
CID 143377491
N-ethyl-N-prop-2-ynylpropane-2-sulfonamide
CID 78970102
N-acetyl-N-prop-2-ynylacetamide
CID 14025452
N-(3-cyclopropylprop-2-ynyl)-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 135078346
4-methyl-N-(5-oxohex-2-ynyl)-N-prop-2-ynylbenzenesulfonamide
CID 102243154
2-[(4-methylsulfonylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79272293
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane
CID 114812596
N-(2,3-dihydroxypropyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 135038237
2-[(5-methylthiophen-2-yl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79272902

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide?
The IUPAC name of N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide (CID 102219436) is N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide is C#CCN(CC=C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide?
The InChIKey is FTAOPYGCGODEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-5-7-10(13(4,11)12)8-6-9(2)3/h1,6H,7-8H2,2-4H3.
What are the key properties of N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide?
N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide has a molecular weight of 201.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide is sourced from PubChem (CID 102219436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).