2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide

C13H30N2O3S — CID 159300801

IUPAC2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)NC(=O)C(C)C.CC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO.C6H15NO2S/c1-5(2)7(9)8-6(3)4;1-5(2)7-10(8,9)6(3)4/h5-6H,1-4H3,(H,8,9);5-7H,1-4H3
InChIKeyLBHQHRGTPRMPCY-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide

2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide (PubChem CID 159300801) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide
PubChem CID159300801
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC Name2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)NC(=O)C(C)C.CC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO.C6H15NO2S/c1-5(2)7(9)8-6(3)4;1-5(2)7-10(8,9)6(3)4/h5-6H,1-4H3,(H,8,9);5-7H,1-4H3
InChIKeyLBHQHRGTPRMPCY-UHFFFAOYSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-sulfamoylpropyl)acetamide
CID 20459379
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
CID 71941517
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
N-ethyl-4-sulfamoylbutanamide
CID 23588047
3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 154751979
N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 3218776
(2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutane-1-sulfonic acid
CID 10562712
2-(2,2-Dimethylpropanoylamino)-3-methylbutane-1-sulfonic acid
CID 21607179
Magnesium bis(3-(2-methylpropanoylamino)propane-1-sulfonate)
CID 9803313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide (CID 159300801) is 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide is CC(C)NC(=O)C(C)C.CC(C)NS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is LBHQHRGTPRMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H15NO2S/c1-5(2)7(9)8-6(3)4;1-5(2)7-10(8,9)6(3)4/h5-6H,1-4H3,(H,8,9);5-7H,1-4H3.
What are the key properties of 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide?
2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 294.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 159300801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).