4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline

C12H19NO3S — CID 43453355

IUPAC4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
SMILESCCS(=O)(=O)c1ccc(NC(C)COC)cc1
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)12-7-5-11(6-8-12)13-10(2)9-16-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyCYOQRTDJFIOVCA-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.93
Rot. Bonds6

About 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline

4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline (PubChem CID 43453355) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
PubChem CID43453355
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
SMILESCCS(=O)(=O)c1ccc(NC(C)COC)cc1
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)12-7-5-11(6-8-12)13-10(2)9-16-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyCYOQRTDJFIOVCA-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline (CID 43453355) is 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline is CCS(=O)(=O)c1ccc(NC(C)COC)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is CYOQRTDJFIOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-17(14,15)12-7-5-11(6-8-12)13-10(2)9-16-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline?
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 257.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 43453355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).