N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide

C14H23NO2S — CID 110669403

IUPACN-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-14(2,3)12-15(4)18(16,17)11-10-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyYSOLSHNTBZGJPD-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.54
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide

N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide (PubChem CID 110669403) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
PubChem CID110669403
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-14(2,3)12-15(4)18(16,17)11-10-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyYSOLSHNTBZGJPD-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide
CID 110669404
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
methyl 3-[methyl(2-phenylethylsulfonyl)amino]propanoate
CID 54942207
N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
CID 110753480
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
CID 79664110
N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
CID 80686235
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
CID 80690978
2-(4-bromophenyl)-N,N-dimethylethanesulfonamide
CID 175834511
N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide
CID 102638725
2-(trichloromethylsulfonyl)ethylbenzene
CID 90481896

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide (CID 110669403) is N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide is CN(CC(C)(C)C)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide?
The InChIKey is YSOLSHNTBZGJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-14(2,3)12-15(4)18(16,17)11-10-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide?
N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide is sourced from PubChem (CID 110669403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).