N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide

C13H22N2O2S — CID 106911292

IUPACN-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
SMILESCCNCc1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-14-10-11-6-8-12(9-7-11)15-18(16,17)13(2,3)4/h6-9,14-15H,5,10H2,1-4H3
InChIKeyKAVUSTDIMYOKLQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.34
Rot. Bonds5

About N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide

N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 106911292) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
PubChem CID106911292
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
SMILESCCNCc1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-14-10-11-6-8-12(9-7-11)15-18(16,17)13(2,3)4/h6-9,14-15H,5,10H2,1-4H3
InChIKeyKAVUSTDIMYOKLQ-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
N-[4-(2-bromoethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 114296474
N-[4-[(3,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939425
2-methyl-N-[4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide
CID 59230720
2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide
CID 63689740
N-[4-[(3-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939384
2-[4-(tert-butylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 77017156
N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline
CID 106911273
N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939392
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide
CID 118376739
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
CID 106331914

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide (CID 106911292) is N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide is CCNCc1ccc(NS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is KAVUSTDIMYOKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-14-10-11-6-8-12(9-7-11)15-18(16,17)13(2,3)4/h6-9,14-15H,5,10H2,1-4H3.
What are the key properties of N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide?
N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 106911292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).