2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol

C15H25NO3S — CID 62200407

IUPAC2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCCCCC(C)NCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-12(2)16-11-15(17)13-7-9-14(10-8-13)20(3,18)19/h7-10,12,15-17H,4-6,11H2,1-3H3
InChIKeyGJEGCKQXPYBQQC-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.29
Rot. Bonds8

About 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol

2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 62200407) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID62200407
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCCCCC(C)NCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-12(2)16-11-15(17)13-7-9-14(10-8-13)20(3,18)19/h7-10,12,15-17H,4-6,11H2,1-3H3
InChIKeyGJEGCKQXPYBQQC-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
(1R)-2-[[(2S)-4-(4-methylsulfonylphenyl)butan-2-yl]amino]-1-phenylethanol;hydrochloride
CID 70469832
2-(hex-1-yn-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 106230076
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
CID 162344236
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]-3-methylbutan-1-ol
CID 66090470

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol (CID 62200407) is 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol is CCCCC(C)NCC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is GJEGCKQXPYBQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-5-6-12(2)16-11-15(17)13-7-9-14(10-8-13)20(3,18)19/h7-10,12,15-17H,4-6,11H2,1-3H3.
What are the key properties of 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol?
2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 299.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 62200407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).