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

C15H22O3S — CID 139093015

IUPAC(1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol
SMILESCCCC[C@@H]1[C@@H]([C@@H](C)O)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22O3S/c1-3-4-10-13-14(11(2)16)15(13)19(17,18)12-8-6-5-7-9-12/h5-9,11,13-16H,3-4,10H2,1-2H3/t11-,13-,14-,15+/m1/s1
InChIKeySRDHZEADBUNFMW-NGFQHRJXSA-N
MW282.40 g/mol
LogP2.65
Rot. Bonds6

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

(1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol (PubChem CID 139093015) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol
PubChem CID139093015
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name(1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol
SMILESCCCC[C@@H]1[C@@H]([C@@H](C)O)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22O3S/c1-3-4-10-13-14(11(2)16)15(13)19(17,18)12-8-6-5-7-9-12/h5-9,11,13-16H,3-4,10H2,1-2H3/t11-,13-,14-,15+/m1/s1
InChIKeySRDHZEADBUNFMW-NGFQHRJXSA-N
XLogP2.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.65
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-[(1R,2R,3S)-2-(benzenesulfonyl)-3-methylcyclopropyl]ethanol
CID 73294054
benzenesulfonic acid;nonane
CID 158294552
benzenesulfonic acid;butan-1-ol
CID 174774031
(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
CID 14532898
(2-pentylcyclopropyl)sulfonylbenzene
CID 10467407
CID 158743784
CID 158743784
benzenesulfonic acid;pentane-2,4-diol
CID 88719615
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
(Z)-1-(benzenesulfonyl)-2-phenylundec-1-en-3-ol
CID 135077156
(3R)-1-(benzenesulfonyl)-1,1-difluoro-3-methylheptan-2-ol
CID 122598739
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol (CID 139093015) is (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol is CCCC[C@@H]1[C@@H]([C@@H](C)O)[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol?
The InChIKey is SRDHZEADBUNFMW-NGFQHRJXSA-N. The full InChI is InChI=1S/C15H22O3S/c1-3-4-10-13-14(11(2)16)15(13)19(17,18)12-8-6-5-7-9-12/h5-9,11,13-16H,3-4,10H2,1-2H3/t11-,13-,14-,15+/m1/s1.
What are the key properties of (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol?
(1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol has a molecular weight of 282.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S,3R)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol is sourced from PubChem (CID 139093015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).