2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol

C11H17NO5S — CID 117440336

IUPAC2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
SMILESCOc1cc(C(O)CN)c(S(C)(=O)=O)cc1OC
InChIInChI=1S/C11H17NO5S/c1-16-9-4-7(8(13)6-12)11(18(3,14)15)5-10(9)17-2/h4-5,8,13H,6,12H2,1-3H3
InChIKeyKHWLVWFGMKIZOT-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.10
Rot. Bonds5

About 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol

2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol (PubChem CID 117440336) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
PubChem CID117440336
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
SMILESCOc1cc(C(O)CN)c(S(C)(=O)=O)cc1OC
InChIInChI=1S/C11H17NO5S/c1-16-9-4-7(8(13)6-12)11(18(3,14)15)5-10(9)17-2/h4-5,8,13H,6,12H2,1-3H3
InChIKeyKHWLVWFGMKIZOT-UHFFFAOYSA-N
XLogP0.10
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
CID 116939710
2-amino-1-(6-methylsulfonyl-1,3-benzodioxol-5-yl)ethanol
CID 117401516
2-amino-1-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117435638
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
CID 117438166
3-(4,5-dimethoxy-2-methylsulfonylphenyl)propan-1-amine
CID 117436174
3-methylsulfonyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65148029
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407160
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol (CID 117440336) is 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol is COc1cc(C(O)CN)c(S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol?
The InChIKey is KHWLVWFGMKIZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-16-9-4-7(8(13)6-12)11(18(3,14)15)5-10(9)17-2/h4-5,8,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol?
2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol has a molecular weight of 275.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117440336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).