[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate

C10H13NO6S — CID 67826417

IUPAC[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate
SMILESCS(=O)(=O)c1ccc(C(O)COC(N)=O)cc1O
InChIInChI=1S/C10H13NO6S/c1-18(15,16)9-3-2-6(4-7(9)12)8(13)5-17-10(11)14/h2-4,8,12-13H,5H2,1H3,(H2,11,14)
InChIKeyGWOALXGJUOKCAM-UHFFFAOYSA-N
MW275.28 g/mol
LogP-0.08
Rot. Bonds4

About [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate

[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate (PubChem CID 67826417) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate
PubChem CID67826417
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate
SMILESCS(=O)(=O)c1ccc(C(O)COC(N)=O)cc1O
InChIInChI=1S/C10H13NO6S/c1-18(15,16)9-3-2-6(4-7(9)12)8(13)5-17-10(11)14/h2-4,8,12-13H,5H2,1H3,(H2,11,14)
InChIKeyGWOALXGJUOKCAM-UHFFFAOYSA-N
XLogP-0.08
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate
CID 54127627
[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
CID 175494072
3-(3-hydroxy-4-methylsulfonylphenyl)propanamide
CID 68518309
3-(3-hydroxy-4-methylsulfonylphenyl)butanal
CID 117357863
[3,3-dimethyl-2-(4-sulfamoylphenyl)butyl] carbamate
CID 172722020
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
CID 174288850
2-aminoguanidine;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;methanesulfonic acid
CID 175014264
(2S)-2-(4-chloro-2-methylsulfonylphenyl)-2-hydroxyethanesulfonamide
CID 134541612
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
CID 67900579
(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
CID 124908033

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate?
The IUPAC name of [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate (CID 67826417) is [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate.
What is the SMILES notation for [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate?
The canonical SMILES for [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate is CS(=O)(=O)c1ccc(C(O)COC(N)=O)cc1O.
What is the InChIKey of [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate?
The InChIKey is GWOALXGJUOKCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-18(15,16)9-3-2-6(4-7(9)12)8(13)5-17-10(11)14/h2-4,8,12-13H,5H2,1H3,(H2,11,14).
What are the key properties of [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate?
[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate has a molecular weight of 275.28 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate is sourced from PubChem (CID 67826417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).