N-tert-butylsulfonyl-2-methylpropanamide

C8H17NO3S — CID 118535406

IUPACN-tert-butylsulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H17NO3S/c1-6(2)7(10)9-13(11,12)8(3,4)5/h6H,1-5H3,(H,9,10)
InChIKeySXHLUGGFJXHWBV-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.89
Rot. Bonds2

About N-tert-butylsulfonyl-2-methylpropanamide

N-tert-butylsulfonyl-2-methylpropanamide (PubChem CID 118535406) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-tert-butylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-2-methylpropanamide
PubChem CID118535406
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-tert-butylsulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H17NO3S/c1-6(2)7(10)9-13(11,12)8(3,4)5/h6H,1-5H3,(H,9,10)
InChIKeySXHLUGGFJXHWBV-UHFFFAOYSA-N
XLogP0.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butylsulfonyl-3-methylurea
CID 130011129
2-methyl-N-propan-2-ylsulfonothioylpropanamide
CID 135195626
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfonamide
CID 166766896
2-methyl-N-(3-methylbutan-2-yloxysulfamoyl)propanamide
CID 167077312
propyl N-(2-methylpropanoyl)sulfamate
CID 174385988
N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide
CID 90978669
2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide
CID 176788202
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-2-methylpropanamide?
The IUPAC name of N-tert-butylsulfonyl-2-methylpropanamide (CID 118535406) is N-tert-butylsulfonyl-2-methylpropanamide.
What is the SMILES notation for N-tert-butylsulfonyl-2-methylpropanamide?
The canonical SMILES for N-tert-butylsulfonyl-2-methylpropanamide is CC(C)C(=O)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-tert-butylsulfonyl-2-methylpropanamide?
The InChIKey is SXHLUGGFJXHWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6(2)7(10)9-13(11,12)8(3,4)5/h6H,1-5H3,(H,9,10).
What are the key properties of N-tert-butylsulfonyl-2-methylpropanamide?
N-tert-butylsulfonyl-2-methylpropanamide has a molecular weight of 207.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 118535406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).