(2R)-2-propylthiomorpholin-3-one

C7H13NOS — CID 101264680

IUPAC(2R)-2-propylthiomorpholin-3-one
SMILESCCC[C@H]1SCCNC1=O
InChIInChI=1S/C7H13NOS/c1-2-3-6-7(9)8-4-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyDVYOCBXQTIHECS-ZCFIWIBFSA-N
MW159.25 g/mol
LogP1.02
Rot. Bonds2

About (2R)-2-propylthiomorpholin-3-one

(2R)-2-propylthiomorpholin-3-one (PubChem CID 101264680) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (2R)-2-propylthiomorpholin-3-one.

Molecular Properties

Compound Name(2R)-2-propylthiomorpholin-3-one
PubChem CID101264680
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(2R)-2-propylthiomorpholin-3-one
SMILESCCC[C@H]1SCCNC1=O
InChIInChI=1S/C7H13NOS/c1-2-3-6-7(9)8-4-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyDVYOCBXQTIHECS-ZCFIWIBFSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propylthiomorpholin-3-one?
The IUPAC name of (2R)-2-propylthiomorpholin-3-one (CID 101264680) is (2R)-2-propylthiomorpholin-3-one.
What is the SMILES notation for (2R)-2-propylthiomorpholin-3-one?
The canonical SMILES for (2R)-2-propylthiomorpholin-3-one is CCC[C@H]1SCCNC1=O.
What is the InChIKey of (2R)-2-propylthiomorpholin-3-one?
The InChIKey is DVYOCBXQTIHECS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-3-6-7(9)8-4-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (2R)-2-propylthiomorpholin-3-one?
(2R)-2-propylthiomorpholin-3-one has a molecular weight of 159.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propylthiomorpholin-3-one is sourced from PubChem (CID 101264680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).