[(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C14H16N2O3S2 — CID 129399729

IUPAC[(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)N1C[C@H](CO)[C@H](c2ccsc2)C1
InChIInChI=1S/C14H16N2O3S2/c17-9-12-7-16(8-14(12)11-3-5-20-10-11)21(18,19)13-2-1-4-15-6-13/h1-6,10,12,14,17H,7-9H2/t12-,14+/m1/s1
InChIKeyIWQRMMAHTFIQNP-OCCSQVGLSA-N
MW324.43 g/mol
LogP1.54
Rot. Bonds4

About [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 129399729) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID129399729
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name[(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)N1C[C@H](CO)[C@H](c2ccsc2)C1
InChIInChI=1S/C14H16N2O3S2/c17-9-12-7-16(8-14(12)11-3-5-20-10-11)21(18,19)13-2-1-4-15-6-13/h1-6,10,12,14,17H,7-9H2/t12-,14+/m1/s1
InChIKeyIWQRMMAHTFIQNP-OCCSQVGLSA-N
XLogP1.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 129399729) is [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is O=S(=O)(c1cccnc1)N1C[C@H](CO)[C@H](c2ccsc2)C1.
What is the InChIKey of [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is IWQRMMAHTFIQNP-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-9-12-7-16(8-14(12)11-3-5-20-10-11)21(18,19)13-2-1-4-15-6-13/h1-6,10,12,14,17H,7-9H2/t12-,14+/m1/s1.
What are the key properties of [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 324.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-pyridin-3-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129399729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).