N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide

C8H18N2O3S — CID 60728004

IUPACN-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8(2,3)7(11)9-5-6-10-14(4,12)13/h10H,5-6H2,1-4H3,(H,9,11)
InChIKeyIIVMWVCCTOCMNE-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.30
Rot. Bonds4

About N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide

N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide (PubChem CID 60728004) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide
PubChem CID60728004
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8(2,3)7(11)9-5-6-10-14(4,12)13/h10H,5-6H2,1-4H3,(H,9,11)
InChIKeyIIVMWVCCTOCMNE-UHFFFAOYSA-N
XLogP-0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide (CID 60728004) is N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide?
The InChIKey is IIVMWVCCTOCMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8(2,3)7(11)9-5-6-10-14(4,12)13/h10H,5-6H2,1-4H3,(H,9,11).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide?
N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide has a molecular weight of 222.31 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 60728004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).