(2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol

C12H18O3S — CID 134944470

IUPAC(2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol
SMILESCC(C)C[C@@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-10(2)8-11(13)9-16(14,15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyVUDLYFWOEYHFGC-LLVKDONJSA-N
MW242.34 g/mol
LogP1.87
Rot. Bonds5

About (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol

(2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol (PubChem CID 134944470) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol
PubChem CID134944470
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name(2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol
SMILESCC(C)C[C@@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-10(2)8-11(13)9-16(14,15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyVUDLYFWOEYHFGC-LLVKDONJSA-N
XLogP1.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
2-(Phenylsulfonyl)ethanol
CID 30202
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
4-[(4-Methylphenyl)sulfonyl]tetrahydro-3-thiopheneol 1,1-dioxide
CID 2829781
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
9-(Benzenesulfonyl)nona-2,7-diyn-1-ol
CID 44326929
1-(Benzenesulfonyl)propan-2-ol
CID 547258
2-Butanol, 1-(phenylthio)-
CID 580222
(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
CID 10038565
4-(Phenylsulfanyl)-2-butanol
CID 11019506
3-Methylbutylsulfonylbenzene
CID 11229611

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol?
The IUPAC name of (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol (CID 134944470) is (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol is CC(C)C[C@@H](O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol?
The InChIKey is VUDLYFWOEYHFGC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O3S/c1-10(2)8-11(13)9-16(14,15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol?
(2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol has a molecular weight of 242.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-4-methylpentan-2-ol is sourced from PubChem (CID 134944470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).