2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide

C10H20N2O3S — CID 113148433

IUPAC2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC(C)C)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-5-6-11-10(13)8-12(7-9(2)3)16(4,14)15/h5,9H,1,6-8H2,2-4H3,(H,11,13)
InChIKeyUDPOFYNEDIRCCW-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.21
Rot. Bonds7

About 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide

2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide (PubChem CID 113148433) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide
PubChem CID113148433
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC(C)C)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-5-6-11-10(13)8-12(7-9(2)3)16(4,14)15/h5,9H,1,6-8H2,2-4H3,(H,11,13)
InChIKeyUDPOFYNEDIRCCW-UHFFFAOYSA-N
XLogP0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N~1~-isobutyl-N~2~-methyl-N~2~-(methylsulfonyl)glycinamide
CID 30464341
N-(2-methylpropyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]-methylsulfonylamino]acetamide
CID 40067441
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 88912318
2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide
CID 139973106
2-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]prop-2-enamide
CID 139973136
N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide
CID 139973179
N-but-3-enyl-2-(methanesulfonamido)acetamide
CID 146374339
2-(ethenylsulfonylamino)-N-(2-methylpropyl)acetamide
CID 169078817
N'-(2-methylpropyl)-N-prop-2-enyloxamide
CID 21212901
2-methyl-3-piperazin-1-ylsulfonyl-N-prop-2-enylpropanamide
CID 24253541
2-(4-methylsulfonylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 27128589

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide (CID 113148433) is 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(CC(C)C)S(C)(=O)=O.
What is the InChIKey of 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
The InChIKey is UDPOFYNEDIRCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-5-6-11-10(13)8-12(7-9(2)3)16(4,14)15/h5,9H,1,6-8H2,2-4H3,(H,11,13).
What are the key properties of 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide has a molecular weight of 248.35 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 113148433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).