5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol

C14H23NO3S — CID 107203360

IUPAC5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
SMILESCCS(=O)(=O)c1ccc(N(C)CCCCCO)cc1
InChIInChI=1S/C14H23NO3S/c1-3-19(17,18)14-9-7-13(8-10-14)15(2)11-5-4-6-12-16/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyMIJMMVSPFYTWDF-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.08
Rot. Bonds8

About 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol

5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol (PubChem CID 107203360) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
PubChem CID107203360
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
SMILESCCS(=O)(=O)c1ccc(N(C)CCCCCO)cc1
InChIInChI=1S/C14H23NO3S/c1-3-19(17,18)14-9-7-13(8-10-14)15(2)11-5-4-6-12-16/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyMIJMMVSPFYTWDF-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylsulfonyl-N-methylanilino)butanoic acid
CID 43453320
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
4-(4-ethylsulfonyl-N-methylanilino)butan-2-one
CID 115235556
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 62592463
1-(4-ethylsulfonyl-N-methylanilino)propan-2-one
CID 115234607
5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203413
2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol
CID 70258694
N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591786
2-(4-ethylsulfonyl-N-propylanilino)ethanol
CID 61425669
4-[6-hydroxyhexyl(methyl)amino]benzenecarbothioamide
CID 107703805
ethyl 2-[4-[2-[4-(6-hydroxyhexylsulfonyl)phenyl]ethenyl]-N-methylanilino]acetate
CID 54113536

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol?
The IUPAC name of 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol (CID 107203360) is 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol.
What is the SMILES notation for 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol?
The canonical SMILES for 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol is CCS(=O)(=O)c1ccc(N(C)CCCCCO)cc1.
What is the InChIKey of 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol?
The InChIKey is MIJMMVSPFYTWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-19(17,18)14-9-7-13(8-10-14)15(2)11-5-4-6-12-16/h7-10,16H,3-6,11-12H2,1-2H3.
What are the key properties of 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol?
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol is sourced from PubChem (CID 107203360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).