5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol

C14H23NO3S — CID 102846516

IUPAC5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
SMILESCCS(=O)(=O)c1ccccc1NCCCC(C)CO
InChIInChI=1S/C14H23NO3S/c1-3-19(17,18)14-9-5-4-8-13(14)15-10-6-7-12(2)11-16/h4-5,8-9,12,15-16H,3,6-7,10-11H2,1-2H3
InChIKeyGSTMVAOEQFZLQN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds8

About 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol

5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol (PubChem CID 102846516) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
PubChem CID102846516
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
SMILESCCS(=O)(=O)c1ccccc1NCCCC(C)CO
InChIInChI=1S/C14H23NO3S/c1-3-19(17,18)14-9-5-4-8-13(14)15-10-6-7-12(2)11-16/h4-5,8-9,12,15-16H,3,6-7,10-11H2,1-2H3
InChIKeyGSTMVAOEQFZLQN-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-ethylsulfonylanilino)-2-methylpentan-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-(4-methylpentyl)aniline
CID 54913636
2-methyl-N'-(2-methylsulfonylphenyl)pentane-1,5-diamine
CID 114151164
2-methyl-N'-[2-(trifluoromethylsulfonyl)phenyl]pentane-1,5-diamine
CID 106155437
3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
CID 66107946
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
CID 106186517
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
CID 106675293
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653
2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
CID 43500186

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol?
The IUPAC name of 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol (CID 102846516) is 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol is CCS(=O)(=O)c1ccccc1NCCCC(C)CO.
What is the InChIKey of 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol?
The InChIKey is GSTMVAOEQFZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-19(17,18)14-9-5-4-8-13(14)15-10-6-7-12(2)11-16/h4-5,8-9,12,15-16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol?
5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol is sourced from PubChem (CID 102846516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).