[(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C15H21N3O3S2 — CID 129430093

IUPAC[(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCC(C)n1cnc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)c1
InChIInChI=1S/C15H21N3O3S2/c1-11(2)17-7-15(16-10-17)23(20,21)18-5-13(8-19)14(6-18)12-3-4-22-9-12/h3-4,7,9-11,13-14,19H,5-6,8H2,1-2H3/t13-,14-/m1/s1
InChIKeyRDWXTXGHOYHODG-ZIAGYGMSSA-N
MW355.49 g/mol
LogP1.92
Rot. Bonds5

About [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 129430093) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID129430093
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name[(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCC(C)n1cnc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)c1
InChIInChI=1S/C15H21N3O3S2/c1-11(2)17-7-15(16-10-17)23(20,21)18-5-13(8-19)14(6-18)12-3-4-22-9-12/h3-4,7,9-11,13-14,19H,5-6,8H2,1-2H3/t13-,14-/m1/s1
InChIKeyRDWXTXGHOYHODG-ZIAGYGMSSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 129430093) is [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is CC(C)n1cnc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)c1.
What is the InChIKey of [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is RDWXTXGHOYHODG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-11(2)17-7-15(16-10-17)23(20,21)18-5-13(8-19)14(6-18)12-3-4-22-9-12/h3-4,7,9-11,13-14,19H,5-6,8H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 355.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129430093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).