N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide

C17H28N2O3S — CID 75427832

IUPACN-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H28N2O3S/c1-12(19-15-11-16(2,3)22-17(15,4)5)13-8-7-9-14(10-13)23(20,21)18-6/h7-10,12,15,18-19H,11H2,1-6H3
InChIKeyNGHHYRYRRGVBOX-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide

N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide (PubChem CID 75427832) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide
PubChem CID75427832
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H28N2O3S/c1-12(19-15-11-16(2,3)22-17(15,4)5)13-8-7-9-14(10-13)23(20,21)18-6/h7-10,12,15,18-19H,11H2,1-6H3
InChIKeyNGHHYRYRRGVBOX-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97102694
2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
CID 79927517
2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
CID 79916834
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 146136068
2,2,5,5-tetramethyl-N-(1-thiophen-2-ylethyl)oxolan-3-amine
CID 79917629
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81377263
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide (CID 75427832) is N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(C(C)NC2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is NGHHYRYRRGVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12(19-15-11-16(2,3)22-17(15,4)5)13-8-7-9-14(10-13)23(20,21)18-6/h7-10,12,15,18-19H,11H2,1-6H3.
What are the key properties of N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide?
N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 75427832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).