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

C14H20O3S — CID 73294051

IUPAC(1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol
SMILESCC(C)[C@H]1[C@@H]([C@@H](C)O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20O3S/c1-9(2)12-13(10(3)15)14(12)18(16,17)11-7-5-4-6-8-11/h4-10,12-15H,1-3H3/t10-,12+,13-,14-/m1/s1
InChIKeyRDDCASMXIILVBT-YXCITZCRSA-N
MW268.38 g/mol
LogP2.11
Rot. Bonds4

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

(1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol (PubChem CID 73294051) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol
PubChem CID73294051
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name(1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol
SMILESCC(C)[C@H]1[C@@H]([C@@H](C)O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20O3S/c1-9(2)12-13(10(3)15)14(12)18(16,17)11-7-5-4-6-8-11/h4-10,12-15H,1-3H3/t10-,12+,13-,14-/m1/s1
InChIKeyRDDCASMXIILVBT-YXCITZCRSA-N
XLogP2.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol
CID 73294054
(1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol
CID 139093015
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
[(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
[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-methylcyclopropyl]-phenylmethanone
CID 73293861
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
benzenesulfonic acid;pentane-2,4-diol
CID 88719615
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
(2S,3R)-2-(benzenesulfonyl)-3-methoxybicyclo[2.2.2]octane
CID 102011149

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol (CID 73294051) is (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol is CC(C)[C@H]1[C@@H]([C@@H](C)O)[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol?
The InChIKey is RDDCASMXIILVBT-YXCITZCRSA-N. The full InChI is InChI=1S/C14H20O3S/c1-9(2)12-13(10(3)15)14(12)18(16,17)11-7-5-4-6-8-11/h4-10,12-15H,1-3H3/t10-,12+,13-,14-/m1/s1.
What are the key properties of (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol?
(1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol has a molecular weight of 268.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-propan-2-ylcyclopropyl]ethanol is sourced from PubChem (CID 73294051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).