(1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate

C10H17NO4S — CID 177168954

IUPAC(1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate
SMILESO=C(OC1CCS(=O)(=O)CC1)[C@@H]1CCNC1
InChIInChI=1S/C10H17NO4S/c12-10(8-1-4-11-7-8)15-9-2-5-16(13,14)6-3-9/h8-9,11H,1-7H2/t8-/m1/s1
InChIKeyOJWLHBMNCYOJQD-MRVPVSSYSA-N
MW247.32 g/mol
LogP-0.28
Rot. Bonds2

About (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate

(1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate (PubChem CID 177168954) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate
PubChem CID177168954
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate
SMILESO=C(OC1CCS(=O)(=O)CC1)[C@@H]1CCNC1
InChIInChI=1S/C10H17NO4S/c12-10(8-1-4-11-7-8)15-9-2-5-16(13,14)6-3-9/h8-9,11H,1-7H2/t8-/m1/s1
InChIKeyOJWLHBMNCYOJQD-MRVPVSSYSA-N
XLogP-0.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate?
The IUPAC name of (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate (CID 177168954) is (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate.
What is the SMILES notation for (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate?
The canonical SMILES for (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate is O=C(OC1CCS(=O)(=O)CC1)[C@@H]1CCNC1.
What is the InChIKey of (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate?
The InChIKey is OJWLHBMNCYOJQD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(8-1-4-11-7-8)15-9-2-5-16(13,14)6-3-9/h8-9,11H,1-7H2/t8-/m1/s1.
What are the key properties of (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate?
(1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate has a molecular weight of 247.32 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl) (3R)-pyrrolidine-3-carboxylate is sourced from PubChem (CID 177168954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).