5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol

C14H23NO3S — CID 107203413

IUPAC5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
SMILESCCS(=O)(=O)c1ccccc1N(C)CCCCCO
InChIInChI=1S/C14H23NO3S/c1-3-19(17,18)14-10-6-5-9-13(14)15(2)11-7-4-8-12-16/h5-6,9-10,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyDNLYMXSXNBACEF-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.08
Rot. Bonds8

About 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol

5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol (PubChem CID 107203413) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
PubChem CID107203413
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
SMILESCCS(=O)(=O)c1ccccc1N(C)CCCCCO
InChIInChI=1S/C14H23NO3S/c1-3-19(17,18)14-10-6-5-9-13(14)15(2)11-7-4-8-12-16/h5-6,9-10,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyDNLYMXSXNBACEF-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'}

Analyze 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
CID 62007156
N-(5-bromopentyl)-N-methyl-2-methylsulfonylaniline
CID 107205127
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
2-amino-3-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 107203240
5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol
CID 107200860
ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate
CID 62007157
5-(3-fluoro-N-methyl-2-nitroanilino)pentan-1-ol
CID 107201821
3-(2-ethylsulfonylphenyl)sulfanylpropan-1-ol
CID 66115181
2-[methyl(octyl)amino]benzoic acid
CID 21437831
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol?
The IUPAC name of 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol (CID 107203413) is 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol.
What is the SMILES notation for 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol?
The canonical SMILES for 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol is CCS(=O)(=O)c1ccccc1N(C)CCCCCO.
What is the InChIKey of 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol?
The InChIKey is DNLYMXSXNBACEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-19(17,18)14-10-6-5-9-13(14)15(2)11-7-4-8-12-16/h5-6,9-10,16H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol?
5-(2-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-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol is sourced from PubChem (CID 107203413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).