N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline

C14H23NO2S — CID 103462508

IUPACN-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
SMILESCCC(C)(C)CNc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO2S/c1-5-14(3,4)11-15-12-7-9-13(10-8-12)18(16,17)6-2/h7-10,15H,5-6,11H2,1-4H3
InChIKeyANLUPNIKFJAECW-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.33
Rot. Bonds6

About N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline

N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline (PubChem CID 103462508) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
PubChem CID103462508
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
SMILESCCC(C)(C)CNc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO2S/c1-5-14(3,4)11-15-12-7-9-13(10-8-12)18(16,17)6-2/h7-10,15H,5-6,11H2,1-4H3
InChIKeyANLUPNIKFJAECW-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
4-ethylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)aniline
CID 106294314
3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 102846503
N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine
CID 43453436
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline
CID 114111360
2-ethyl-1-N-(4-methylsulfonylphenyl)butane-1,2-diamine
CID 113283230
N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945
N-(3-chloropropyl)-4-ethylsulfonylaniline
CID 65029662
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
1-(4-ethylsulfonylanilino)-4,4-dimethylpentan-2-ol
CID 102846374

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline?
The IUPAC name of N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline (CID 103462508) is N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline is CCC(C)(C)CNc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline?
The InChIKey is ANLUPNIKFJAECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-14(3,4)11-15-12-7-9-13(10-8-12)18(16,17)6-2/h7-10,15H,5-6,11H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline?
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline has a molecular weight of 269.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline is sourced from PubChem (CID 103462508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).