N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline

C15H25NO3S — CID 106723144

IUPACN-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCCS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)19-14-8-6-13(7-9-14)16-10-11-20(17,18)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLUWWHXYDMDULGY-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.10
Rot. Bonds6

About N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline

N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline (PubChem CID 106723144) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline
PubChem CID106723144
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCCS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)19-14-8-6-13(7-9-14)16-10-11-20(17,18)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLUWWHXYDMDULGY-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
4-(difluoromethoxy)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723179
N-(2-tert-butylsulfonylethyl)-3,4-dichloroaniline
CID 106723040
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
2,2-dimethyl-4-(4-propan-2-yloxyanilino)butanenitrile
CID 65249328
N-(2-tert-butylsulfonylethyl)thiophen-3-amine
CID 106723948
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
4-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106722923
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline (CID 106723144) is N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCCS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline?
The InChIKey is LUWWHXYDMDULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-12(2)19-14-8-6-13(7-9-14)16-10-11-20(17,18)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline?
N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline has a molecular weight of 299.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 106723144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).