(R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol

C9H17NOS2 — CID 155141445

IUPAC(R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol
SMILESO[C@@H](C1SCCCS1)[C@H]1CCCN1
InChIInChI=1S/C9H17NOS2/c11-8(7-3-1-4-10-7)9-12-5-2-6-13-9/h7-11H,1-6H2/t7-,8-/m1/s1
InChIKeyFQTGDSWCQNOMFP-HTQZYQBOSA-N
MW219.37 g/mol
LogP1.30
Rot. Bonds2

About (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol

(R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 155141445) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID155141445
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC Name(R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol
SMILESO[C@@H](C1SCCCS1)[C@H]1CCCN1
InChIInChI=1S/C9H17NOS2/c11-8(7-3-1-4-10-7)9-12-5-2-6-13-9/h7-11H,1-6H2/t7-,8-/m1/s1
InChIKeyFQTGDSWCQNOMFP-HTQZYQBOSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol (CID 155141445) is (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol is O[C@@H](C1SCCCS1)[C@H]1CCCN1.
What is the InChIKey of (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is FQTGDSWCQNOMFP-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NOS2/c11-8(7-3-1-4-10-7)9-12-5-2-6-13-9/h7-11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol?
(R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol has a molecular weight of 219.37 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1,3-dithian-2-yl-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155141445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).