(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol

C14H19N3O3S2 — CID 124739947

IUPAC(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESCn1nccc1S(=O)(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1
InChIInChI=1S/C14H19N3O3S2/c1-16-14(6-7-15-16)22(19,20)17-8-2-4-11(17)10-12(18)13-5-3-9-21-13/h3,5-7,9,11-12,18H,2,4,8,10H2,1H3/t11-,12+/m1/s1
InChIKeyUEHLNDATGPJZOY-NEPJUHHUSA-N
MW341.46 g/mol
LogP1.76
Rot. Bonds5

About (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol

(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol (PubChem CID 124739947) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol
PubChem CID124739947
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol
SMILESCn1nccc1S(=O)(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1
InChIInChI=1S/C14H19N3O3S2/c1-16-14(6-7-15-16)22(19,20)17-8-2-4-11(17)10-12(18)13-5-3-9-21-13/h3,5-7,9,11-12,18H,2,4,8,10H2,1H3/t11-,12+/m1/s1
InChIKeyUEHLNDATGPJZOY-NEPJUHHUSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The IUPAC name of (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol (CID 124739947) is (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol is Cn1nccc1S(=O)(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1.
What is the InChIKey of (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol?
The InChIKey is UEHLNDATGPJZOY-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-16-14(6-7-15-16)22(19,20)17-8-2-4-11(17)10-12(18)13-5-3-9-21-13/h3,5-7,9,11-12,18H,2,4,8,10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol?
(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol has a molecular weight of 341.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 124739947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).