N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide

C7H16N2O3S — CID 21034171

IUPACN-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-6(2)7(10)8-4-5-9-13(3,11)12/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyNHEIWGVMZLYZRS-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.69
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide

N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide (PubChem CID 21034171) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
PubChem CID21034171
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-6(2)7(10)8-4-5-9-13(3,11)12/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyNHEIWGVMZLYZRS-UHFFFAOYSA-N
XLogP-0.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide (CID 21034171) is N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The InChIKey is NHEIWGVMZLYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)7(10)8-4-5-9-13(3,11)12/h6,9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide has a molecular weight of 208.28 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide is sourced from PubChem (CID 21034171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).