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

C13H20N2O4S2 — CID 129327314

IUPAC[(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(N1CCOCC1)N1C[C@H](CO)[C@H](c2ccsc2)C1
InChIInChI=1S/C13H20N2O4S2/c16-9-12-7-15(8-13(12)11-1-6-20-10-11)21(17,18)14-2-4-19-5-3-14/h1,6,10,12-13,16H,2-5,7-9H2/t12-,13+/m1/s1
InChIKeySAKOLRXVNJLTNS-OLZOCXBDSA-N
MW332.45 g/mol
LogP0.33
Rot. Bonds4

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

[(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 129327314) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID129327314
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name[(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(N1CCOCC1)N1C[C@H](CO)[C@H](c2ccsc2)C1
InChIInChI=1S/C13H20N2O4S2/c16-9-12-7-15(8-13(12)11-1-6-20-10-11)21(17,18)14-2-4-19-5-3-14/h1,6,10,12-13,16H,2-5,7-9H2/t12-,13+/m1/s1
InChIKeySAKOLRXVNJLTNS-OLZOCXBDSA-N
XLogP0.33
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 129327314) is [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is O=S(=O)(N1CCOCC1)N1C[C@H](CO)[C@H](c2ccsc2)C1.
What is the InChIKey of [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is SAKOLRXVNJLTNS-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c16-9-12-7-15(8-13(12)11-1-6-20-10-11)21(17,18)14-2-4-19-5-3-14/h1,6,10,12-13,16H,2-5,7-9H2/t12-,13+/m1/s1.
What are the key properties of [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 332.45 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-morpholin-4-ylsulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129327314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).