(2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol

C10H14O3S — CID 11298848

IUPAC(2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol
SMILESC[C@H](CO)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
InChIKeyPONBJQIZKOCLEY-SECBINFHSA-N
MW214.29 g/mol
LogP1.09
Rot. Bonds4

About (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol

(2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol (PubChem CID 11298848) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol
PubChem CID11298848
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name(2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol
SMILESC[C@H](CO)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
InChIKeyPONBJQIZKOCLEY-SECBINFHSA-N
XLogP1.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol (CID 11298848) is (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol is C[C@H](CO)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol?
The InChIKey is PONBJQIZKOCLEY-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O3S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol?
(2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol has a molecular weight of 214.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzenesulfonyl)-2-methylpropan-1-ol is sourced from PubChem (CID 11298848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).