N-(2-ethylsulfonylethyl)-4-methoxyaniline

C11H17NO3S — CID 43807675

IUPACN-(2-ethylsulfonylethyl)-4-methoxyaniline
SMILESCCS(=O)(=O)CCNc1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(13,14)9-8-12-10-4-6-11(15-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChIKeyCHRFUKSISDGPFT-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.54
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-4-methoxyaniline

N-(2-ethylsulfonylethyl)-4-methoxyaniline (PubChem CID 43807675) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-4-methoxyaniline
PubChem CID43807675
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(2-ethylsulfonylethyl)-4-methoxyaniline
SMILESCCS(=O)(=O)CCNc1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(13,14)9-8-12-10-4-6-11(15-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChIKeyCHRFUKSISDGPFT-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.54
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
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
CID 55158057
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
4-(2-ethylsulfonylethylamino)benzenecarbothioamide
CID 114111069
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
CID 106722892
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
N-(2-methylsulfonylethyl)-4-propoxyaniline
CID 62327463

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-4-methoxyaniline?
The IUPAC name of N-(2-ethylsulfonylethyl)-4-methoxyaniline (CID 43807675) is N-(2-ethylsulfonylethyl)-4-methoxyaniline.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-4-methoxyaniline?
The canonical SMILES for N-(2-ethylsulfonylethyl)-4-methoxyaniline is CCS(=O)(=O)CCNc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-4-methoxyaniline?
The InChIKey is CHRFUKSISDGPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16(13,14)9-8-12-10-4-6-11(15-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-4-methoxyaniline?
N-(2-ethylsulfonylethyl)-4-methoxyaniline has a molecular weight of 243.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-4-methoxyaniline is sourced from PubChem (CID 43807675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).