(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol

C13H14O3S2 — CID 94830635

IUPAC(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
SMILESO=S(=O)(CC[C@@H](O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H14O3S2/c14-12(13-7-4-9-17-13)8-10-18(15,16)11-5-2-1-3-6-11/h1-7,9,12,14H,8,10H2/t12-/m1/s1
InChIKeySEBKWTVMLWTLKA-GFCCVEGCSA-N
MW282.39 g/mol
LogP2.65
Rot. Bonds5

About (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol

(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 94830635) has the molecular formula C13H14O3S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
PubChem CID94830635
Molecular FormulaC13H14O3S2
Molecular Weight282.39 g/mol
Exact Mass282.04
IUPAC Name(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
SMILESO=S(=O)(CC[C@@H](O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H14O3S2/c14-12(13-7-4-9-17-13)8-10-18(15,16)11-5-2-1-3-6-11/h1-7,9,12,14H,8,10H2/t12-/m1/s1
InChIKeySEBKWTVMLWTLKA-GFCCVEGCSA-N
XLogP2.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
CID 90500079
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
CID 110663687
6-(benzenesulfonyl)hexan-3-ol
CID 106808103
(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 94830631
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide
CID 177465395
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
1-(benzenesulfonyl)hept-6-en-3-ol
CID 164677064
[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium
CID 58297769
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
2-bromo-1-thiophen-2-ylethanol
CID 22324999

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol (CID 94830635) is (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol is O=S(=O)(CC[C@@H](O)c1cccs1)c1ccccc1.
What is the InChIKey of (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is SEBKWTVMLWTLKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14O3S2/c14-12(13-7-4-9-17-13)8-10-18(15,16)11-5-2-1-3-6-11/h1-7,9,12,14H,8,10H2/t12-/m1/s1.
What are the key properties of (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol?
(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 94830635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).