N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine

C16H26N2O3S — CID 71997165

IUPACN-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1ccc(CCN(CC2CCCO2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-14-6-8-15(9-7-14)10-11-18(22(19,20)17(2)3)13-16-5-4-12-21-16/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyXVUHVXYQYSXEJH-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.82
Rot. Bonds7

About N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine

N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 71997165) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID71997165
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1ccc(CCN(CC2CCCO2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-14-6-8-15(9-7-14)10-11-18(22(19,20)17(2)3)13-16-5-4-12-21-16/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyXVUHVXYQYSXEJH-UHFFFAOYSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
4-[2-(4-methylphenyl)ethyl-(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673914
N'-[benzyl(methyl)sulfamoyl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 131935981
1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119805841
N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 93114798
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 71993854
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119805868
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
CID 110604942
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 71993852
4-amino-3-methoxy-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 120593485
3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 96568637

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 71997165) is N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine is Cc1ccc(CCN(CC2CCCO2)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is XVUHVXYQYSXEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-14-6-8-15(9-7-14)10-11-18(22(19,20)17(2)3)13-16-5-4-12-21-16/h6-9,16H,4-5,10-13H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 326.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 71997165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).