(1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol

C12H16O3S — CID 73294054

IUPAC(1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol
SMILESC[C@H]1[C@H]([C@@H](C)O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O3S/c1-8-11(9(2)13)12(8)16(14,15)10-6-4-3-5-7-10/h3-9,11-13H,1-2H3/t8-,9+,11+,12+/m0/s1
InChIKeyXUICUEDLJQXJGR-LUTQBAROSA-N
MW240.32 g/mol
LogP1.48
Rot. Bonds3

About (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol

(1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol (PubChem CID 73294054) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol
PubChem CID73294054
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol
SMILESC[C@H]1[C@H]([C@@H](C)O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O3S/c1-8-11(9(2)13)12(8)16(14,15)10-6-4-3-5-7-10/h3-9,11-13H,1-2H3/t8-,9+,11+,12+/m0/s1
InChIKeyXUICUEDLJQXJGR-LUTQBAROSA-N
XLogP1.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol
CID 73294051
(1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol
CID 139093015
[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-methylcyclopropyl]-phenylmethanone
CID 73293861
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
benzenesulfonyl(phenyl)methanol
CID 174895803
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
9,10-bis(benzenesulfonyl)-11-thiatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 102257079
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
benzenesulfonic acid;pentane-2,4-diol
CID 88719615

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol (CID 73294054) is (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol is C[C@H]1[C@H]([C@@H](C)O)[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol?
The InChIKey is XUICUEDLJQXJGR-LUTQBAROSA-N. The full InChI is InChI=1S/C12H16O3S/c1-8-11(9(2)13)12(8)16(14,15)10-6-4-3-5-7-10/h3-9,11-13H,1-2H3/t8-,9+,11+,12+/m0/s1.
What are the key properties of (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol?
(1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol is sourced from PubChem (CID 73294054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).