[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate

C11H15NO6S — CID 175231524

IUPAC[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
SMILESCS(=O)(=O)c1cccc(OCC(O)COC(N)=O)c1
InChIInChI=1S/C11H15NO6S/c1-19(15,16)10-4-2-3-9(5-10)17-6-8(13)7-18-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeyKFWATLYOTFIBRO-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.07
Rot. Bonds6

About [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate

[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate (PubChem CID 175231524) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
PubChem CID175231524
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
SMILESCS(=O)(=O)c1cccc(OCC(O)COC(N)=O)c1
InChIInChI=1S/C11H15NO6S/c1-19(15,16)10-4-2-3-9(5-10)17-6-8(13)7-18-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeyKFWATLYOTFIBRO-UHFFFAOYSA-N
XLogP-0.07
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol
CID 167872482
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014
1-(2,2-dimethoxyethoxy)-3-methylsulfonylbenzene
CID 66223828
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
2-ethoxy-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63074684
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
[(2R)-2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 153303668
[(2S)-2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate
CID 153431098
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
2-methyl-3-(3-methylsulfonylphenoxy)propanenitrile
CID 43806985
2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
CID 63070637

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate?
The IUPAC name of [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate (CID 175231524) is [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate.
What is the SMILES notation for [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate?
The canonical SMILES for [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate is CS(=O)(=O)c1cccc(OCC(O)COC(N)=O)c1.
What is the InChIKey of [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate?
The InChIKey is KFWATLYOTFIBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-19(15,16)10-4-2-3-9(5-10)17-6-8(13)7-18-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14).
What are the key properties of [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate?
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate has a molecular weight of 289.31 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate is sourced from PubChem (CID 175231524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).