2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide

C10H20N2O3S — CID 113152828

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide
SMILESCC(C)(C)N(CC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)12(16(4,14)15)7-9(13)11-8-5-6-8/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyUMXVJLGQGGKHBY-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds4

About 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide

2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide (PubChem CID 113152828) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide
PubChem CID113152828
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide
SMILESCC(C)(C)N(CC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)12(16(4,14)15)7-9(13)11-8-5-6-8/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyUMXVJLGQGGKHBY-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 848395
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
1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383319
2-(methanesulfonamido)-3,3-dimethyl-N-(2-methylcyclopropyl)butanamide
CID 136516392
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55257321
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958521
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115619438
N1-(tert-butyl)-N2-cyclopropyloxalamide
CID 21369915
2-(methanesulfonamido)-2-methyl-N-(1-oxopropan-2-yl)propanamide
CID 22943800
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide
CID 30464337
N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464345

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide (CID 113152828) is 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide is CC(C)(C)N(CC(=O)NC1CC1)S(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide?
The InChIKey is UMXVJLGQGGKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,3)12(16(4,14)15)7-9(13)11-8-5-6-8/h8H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 113152828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).