(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol

C6H11N3O4S — CID 94451312

IUPAC(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCS(=O)(=O)Cc1noc([C@H](N)CO)n1
InChIInChI=1S/C6H11N3O4S/c1-14(11,12)3-5-8-6(13-9-5)4(7)2-10/h4,10H,2-3,7H2,1H3/t4-/m1/s1
InChIKeyHMQPWBJTCHTYKT-SCSAIBSYSA-N
MW221.24 g/mol
LogP-1.39
Rot. Bonds4

About (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol

(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 94451312) has the molecular formula C6H11N3O4S and a molecular weight of 221.24 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID94451312
Molecular FormulaC6H11N3O4S
Molecular Weight221.24 g/mol
Exact Mass221.05
IUPAC Name(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCS(=O)(=O)Cc1noc([C@H](N)CO)n1
InChIInChI=1S/C6H11N3O4S/c1-14(11,12)3-5-8-6(13-9-5)4(7)2-10/h4,10H,2-3,7H2,1H3/t4-/m1/s1
InChIKeyHMQPWBJTCHTYKT-SCSAIBSYSA-N
XLogP-1.39
TPSA119.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 94451312) is (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol is CS(=O)(=O)Cc1noc([C@H](N)CO)n1.
What is the InChIKey of (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is HMQPWBJTCHTYKT-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N3O4S/c1-14(11,12)3-5-8-6(13-9-5)4(7)2-10/h4,10H,2-3,7H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 221.24 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 94451312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).