(2R)-1-methylsulfonylpropan-2-ol

C4H10O3S — CID 57300348

IUPAC(2R)-1-methylsulfonylpropan-2-ol
SMILESC[C@@H](O)CS(C)(=O)=O
InChIInChI=1S/C4H10O3S/c1-4(5)3-8(2,6)7/h4-5H,3H2,1-2H3/t4-/m1/s1
InChIKeyKQKZDINYUFBARL-SCSAIBSYSA-N
MW138.19 g/mol
LogP-0.59
Rot. Bonds2

About (2R)-1-methylsulfonylpropan-2-ol

(2R)-1-methylsulfonylpropan-2-ol (PubChem CID 57300348) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is (2R)-1-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-methylsulfonylpropan-2-ol
PubChem CID57300348
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name(2R)-1-methylsulfonylpropan-2-ol
SMILESC[C@@H](O)CS(C)(=O)=O
InChIInChI=1S/C4H10O3S/c1-4(5)3-8(2,6)7/h4-5H,3H2,1-2H3/t4-/m1/s1
InChIKeyKQKZDINYUFBARL-SCSAIBSYSA-N
XLogP-0.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxypropyl methanethiosulfonate
CID 62849
3-Hydroxysulfolane
CID 98932
2-(Ethylsulfonyl)ethanol
CID 10549
(3R)-3-hydroxy-1lambda6-thiolane-1,1-dione
CID 7059047
1-Methanesulfonylpropan-2-ol
CID 121569
3-(Methylsulfonyl)-1-propanol
CID 200424
(S)-2-hydroxypropyl-CoM
CID 443232
4-Methanesulfonylbutan-2-ol
CID 14169979
(R)-2-hydroxypropyl-CoM(1-)
CID 9543082
(S)-2-hydroxypropyl-CoM(1-)
CID 9543086
3-(Butylsulfonyl)propanol
CID 3341631
1,3-Bis(2-hydroxyethylsulfonyl)propan-2-ol
CID 11437335

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonylpropan-2-ol?
The IUPAC name of (2R)-1-methylsulfonylpropan-2-ol (CID 57300348) is (2R)-1-methylsulfonylpropan-2-ol.
What is the SMILES notation for (2R)-1-methylsulfonylpropan-2-ol?
The canonical SMILES for (2R)-1-methylsulfonylpropan-2-ol is C[C@@H](O)CS(C)(=O)=O.
What is the InChIKey of (2R)-1-methylsulfonylpropan-2-ol?
The InChIKey is KQKZDINYUFBARL-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10O3S/c1-4(5)3-8(2,6)7/h4-5H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-1-methylsulfonylpropan-2-ol?
(2R)-1-methylsulfonylpropan-2-ol has a molecular weight of 138.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonylpropan-2-ol is sourced from PubChem (CID 57300348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).