N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide

C9H21NO3S — CID 146542197

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCOC(C)(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)14(11,12)10-6-7-13-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyQMGIEWUZNGFVMR-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.13
Rot. Bonds5

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide (PubChem CID 146542197) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide
PubChem CID146542197
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCOC(C)(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)14(11,12)10-6-7-13-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyQMGIEWUZNGFVMR-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide
CID 139453520
N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
CID 83039103
N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
CID 90523463
N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
CID 106245719
4-O-propan-2-yl 1-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
CID 126491681
2-[(2-methylpropan-2-yl)oxy]ethylhydrazine
CID 86615301
2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol
CID 112588775
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
N-(3-cyclohexyloxypropyl)propane-2-sulfonamide
CID 61363412
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709
N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
CID 65110441

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide (CID 146542197) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCOC(C)(C)C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide?
The InChIKey is QMGIEWUZNGFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)14(11,12)10-6-7-13-9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 146542197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).