3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol

C13H21NO4S — CID 106157556

IUPAC3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol
SMILESCCS(=O)(=O)c1ccc(NC(CCO)COC)cc1
InChIInChI=1S/C13H21NO4S/c1-3-19(16,17)13-6-4-11(5-7-13)14-12(8-9-15)10-18-2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeySBAZEFCASBCSCW-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.29
Rot. Bonds8

About 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol

3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol (PubChem CID 106157556) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol
PubChem CID106157556
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol
SMILESCCS(=O)(=O)c1ccc(NC(CCO)COC)cc1
InChIInChI=1S/C13H21NO4S/c1-3-19(16,17)13-6-4-11(5-7-13)14-12(8-9-15)10-18-2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeySBAZEFCASBCSCW-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
2-(4-ethylsulfonylanilino)propan-1-ol
CID 43500287
4-[(4-amino-1-methoxybutan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 106154742
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
methyl 3-(4-ethylsulfonylanilino)butanoate
CID 114283860
N-(1-chloro-3-methoxypropan-2-yl)-4-methylsulfonylaniline
CID 106182004
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103851039
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
(2R)-2-(4-ethylsulfonylanilino)-3-methylbutanoic acid
CID 94161069
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 106162705
N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
CID 63838875

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol?
The IUPAC name of 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol (CID 106157556) is 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol?
The canonical SMILES for 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol is CCS(=O)(=O)c1ccc(NC(CCO)COC)cc1.
What is the InChIKey of 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol?
The InChIKey is SBAZEFCASBCSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-3-19(16,17)13-6-4-11(5-7-13)14-12(8-9-15)10-18-2/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol?
3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol is sourced from PubChem (CID 106157556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).