2-methyl-N-phenylmethoxypropane-1-sulfonamide

C11H17NO3S — CID 64973774

IUPAC2-methyl-N-phenylmethoxypropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(2)9-16(13,14)12-15-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyYQTLWYOQWKZGFN-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.69
Rot. Bonds6

About 2-methyl-N-phenylmethoxypropane-1-sulfonamide

2-methyl-N-phenylmethoxypropane-1-sulfonamide (PubChem CID 64973774) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-N-phenylmethoxypropane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-phenylmethoxypropane-1-sulfonamide
PubChem CID64973774
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-methyl-N-phenylmethoxypropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(2)9-16(13,14)12-15-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyYQTLWYOQWKZGFN-UHFFFAOYSA-N
XLogP1.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-phenylmethoxypropane-1-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

2-methoxy-N-phenylmethoxyethanesulfonamide
CID 64973771
oxido-[2-(phenylmethoxysulfamoyl)ethoxyamino]-propan-2-yliminoazanium
CID 71457302
(diethylsulfamoylamino)oxymethylbenzene
CID 60713784
4-(phenylmethoxysulfamoyl)butanoic acid
CID 64974140
N-ethoxy-2-phenylpropane-1-sulfonamide
CID 80686317
2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide
CID 11610982
N-(1-bromo-3-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 113271623
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
2-methyl-3-(phenylmethoxyamino)propanoic acid
CID 21019710
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylmethoxypropane-1-sulfonamide?
The IUPAC name of 2-methyl-N-phenylmethoxypropane-1-sulfonamide (CID 64973774) is 2-methyl-N-phenylmethoxypropane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-phenylmethoxypropane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-phenylmethoxypropane-1-sulfonamide is CC(C)CS(=O)(=O)NOCc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylmethoxypropane-1-sulfonamide?
The InChIKey is YQTLWYOQWKZGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-10(2)9-16(13,14)12-15-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 2-methyl-N-phenylmethoxypropane-1-sulfonamide?
2-methyl-N-phenylmethoxypropane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylmethoxypropane-1-sulfonamide is sourced from PubChem (CID 64973774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).