2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide

C10H20N2O3S — CID 113148629

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

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

2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide (PubChem CID 113148629) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide
PubChem CID113148629
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)CC)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-5-7-11-10(13)8-12(9(3)6-2)16(4,14)15/h5,9H,1,6-8H2,2-4H3,(H,11,13)
InChIKeyUWBJPIORLDMWQZ-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
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

2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide
CID 113148433
2-[2-hydroxyethyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 60691703
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
CID 113137004
3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113137000
2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113148670
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
CID 113148818
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 113156103
N-ethyl-2-[ethyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetamide
CID 78795286
2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide
CID 113158811
2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide
CID 113147725
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-methyl-N-prop-2-enylbutanamide
CID 20811204

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide (CID 113148629) is 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)CC)S(C)(=O)=O.
What is the InChIKey of 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
The InChIKey is UWBJPIORLDMWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-5-7-11-10(13)8-12(9(3)6-2)16(4,14)15/h5,9H,1,6-8H2,2-4H3,(H,11,13).
What are the key properties of 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide?
2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide has a molecular weight of 248.35 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 113148629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).