1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol

C14H23NO3S — CID 83927251

IUPAC1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO3S/c1-3-11(9-13(16)10-15)12-5-7-14(8-6-12)19(17,18)4-2/h5-8,11,13,16H,3-4,9-10,15H2,1-2H3
InChIKeyNLKWRFBDZSNAEF-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.68
Rot. Bonds7

About 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol

1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol (PubChem CID 83927251) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
PubChem CID83927251
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO3S/c1-3-11(9-13(16)10-15)12-5-7-14(8-6-12)19(17,18)4-2/h5-8,11,13,16H,3-4,9-10,15H2,1-2H3
InChIKeyNLKWRFBDZSNAEF-UHFFFAOYSA-N
XLogP1.68
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
2-(aminomethyl)-4-(4-propylsulfonylphenyl)hexan-1-ol
CID 83927291
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
CID 116868654
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83927236
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
CID 83920884
2-[2-(4-ethylsulfonylphenyl)butyl]-3-methyloxirane
CID 83927242
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol (CID 83927251) is 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol is CCC(CC(O)CN)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol?
The InChIKey is NLKWRFBDZSNAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-11(9-13(16)10-15)12-5-7-14(8-6-12)19(17,18)4-2/h5-8,11,13,16H,3-4,9-10,15H2,1-2H3.
What are the key properties of 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol?
1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol is sourced from PubChem (CID 83927251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).