N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide

C8H16N2O4S — CID 171593682

IUPACN-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-6(2)8(12)9-5-4-7(11)10-15(3,13)14/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyLYFOEBIVMRCGJZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.78
Rot. Bonds5

About N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide

N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide (PubChem CID 171593682) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide
PubChem CID171593682
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-6(2)8(12)9-5-4-7(11)10-15(3,13)14/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyLYFOEBIVMRCGJZ-UHFFFAOYSA-N
XLogP-0.78
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide?
The IUPAC name of N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide (CID 171593682) is N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide is CC(C)C(=O)NCCC(=O)NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide?
The InChIKey is LYFOEBIVMRCGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6(2)8(12)9-5-4-7(11)10-15(3,13)14/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide?
N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide has a molecular weight of 236.29 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 171593682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).