2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide

C9H20N2O3S — CID 59304320

IUPAC2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(2)10-9(12)6-11(8(3)4)15(5,13)14/h7-8H,6H2,1-5H3,(H,10,12)
InChIKeyUFHQOXYOFZKTGO-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.18
Rot. Bonds5

About 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide

2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 59304320) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID59304320
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(2)10-9(12)6-11(8(3)4)15(5,13)14/h7-8H,6H2,1-5H3,(H,10,12)
InChIKeyUFHQOXYOFZKTGO-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-ethylacetamide
CID 1815811
2-[cyclohexyl(methylsulfonyl)amino]-N-propylacetamide
CID 1815812
N-butyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1815814
N-(sec-butyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 2984150
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
4-Butylsulfonylpiperazin-2-one
CID 47371379
N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide
CID 53503799
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 53499006
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55257321
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492565
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958505

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide (CID 59304320) is 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is UFHQOXYOFZKTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)10-9(12)6-11(8(3)4)15(5,13)14/h7-8H,6H2,1-5H3,(H,10,12).
What are the key properties of 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide?
2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 236.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(propan-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 59304320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).