(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol

C10H14O3S2 — CID 106933378

IUPAC(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
SMILESC[C@@H](O)CSc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H14O3S2/c1-8(11)7-14-9-3-5-10(6-4-9)15(2,12)13/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1
InChIKeyCIKTWIQDDQQODV-MRVPVSSYSA-N
MW246.35 g/mol
LogP1.56
Rot. Bonds4

About (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol

(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol (PubChem CID 106933378) has the molecular formula C10H14O3S2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
PubChem CID106933378
Molecular FormulaC10H14O3S2
Molecular Weight246.35 g/mol
Exact Mass246.04
IUPAC Name(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
SMILESC[C@@H](O)CSc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H14O3S2/c1-8(11)7-14-9-3-5-10(6-4-9)15(2,12)13/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1
InChIKeyCIKTWIQDDQQODV-MRVPVSSYSA-N
XLogP1.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxypropylsulfanyl)phenyl]sulfanylpropan-2-ol
CID 90842092
N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine
CID 64626576
2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
CID 110885157
3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfanylbutan-2-amine
CID 64625979
2-amino-3-(4-methylsulfonylphenyl)sulfanylpropanenitrile
CID 63238056
3-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64929920
methyl 2-bromo-3-(4-methylsulfonylphenyl)sulfanylpropanoate
CID 81091513
ethyl 2-(ethylamino)-3-(4-methylsulfonylphenyl)sulfanylpropanoate
CID 63238103
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
CID 110885160
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)sulfanylethanamine
CID 64628350
(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol
CID 106933440
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol?
The IUPAC name of (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol (CID 106933378) is (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol is C[C@@H](O)CSc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol?
The InChIKey is CIKTWIQDDQQODV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O3S2/c1-8(11)7-14-9-3-5-10(6-4-9)15(2,12)13/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol?
(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 106933378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).