(2R)-4-acetylthiomorpholine-2-carboxylate

C7H10NO3S- — CID 7129369

IUPAC(2R)-4-acetylthiomorpholine-2-carboxylate
SMILESCC(=O)N1CCS[C@@H](C(=O)[O-])C1
InChIInChI=1S/C7H11NO3S/c1-5(9)8-2-3-12-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/p-1/t6-/m1/s1
InChIKeyHVUIYILCQGXZEN-ZCFIWIBFSA-M
MW188.23 g/mol
LogP-1.30
Rot. Bonds1

About (2R)-4-acetylthiomorpholine-2-carboxylate

(2R)-4-acetylthiomorpholine-2-carboxylate (PubChem CID 7129369) has the molecular formula C7H10NO3S- and a molecular weight of 188.23 g/mol. Its IUPAC name is (2R)-4-acetylthiomorpholine-2-carboxylate.

Molecular Properties

Compound Name(2R)-4-acetylthiomorpholine-2-carboxylate
PubChem CID7129369
Molecular FormulaC7H10NO3S-
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC Name(2R)-4-acetylthiomorpholine-2-carboxylate
SMILESCC(=O)N1CCS[C@@H](C(=O)[O-])C1
InChIInChI=1S/C7H11NO3S/c1-5(9)8-2-3-12-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/p-1/t6-/m1/s1
InChIKeyHVUIYILCQGXZEN-ZCFIWIBFSA-M
XLogP-1.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
2-carbamoylthiomorpholine-4-carboxylic acid
CID 89267220
(3S)-1-acetylpiperidine-3-carboxylate
CID 7131083
4-prop-1-en-2-yloxycarbonylthiomorpholine-2-carboxylic acid
CID 89309811
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
tert-butyl 2-butanoylthiomorpholine-4-carboxylate
CID 165468641
1-[(3R)-3-bromopyrrolidin-1-yl]ethanone
CID 66569138
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
3-methyl-1-(2-methylthiomorpholin-4-yl)but-2-en-1-one
CID 130158748
1-(azetidin-1-yl)ethanone
CID 14061673
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetylthiomorpholine-2-carboxylate?
The IUPAC name of (2R)-4-acetylthiomorpholine-2-carboxylate (CID 7129369) is (2R)-4-acetylthiomorpholine-2-carboxylate.
What is the SMILES notation for (2R)-4-acetylthiomorpholine-2-carboxylate?
The canonical SMILES for (2R)-4-acetylthiomorpholine-2-carboxylate is CC(=O)N1CCS[C@@H](C(=O)[O-])C1.
What is the InChIKey of (2R)-4-acetylthiomorpholine-2-carboxylate?
The InChIKey is HVUIYILCQGXZEN-ZCFIWIBFSA-M. The full InChI is InChI=1S/C7H11NO3S/c1-5(9)8-2-3-12-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/p-1/t6-/m1/s1.
What are the key properties of (2R)-4-acetylthiomorpholine-2-carboxylate?
(2R)-4-acetylthiomorpholine-2-carboxylate has a molecular weight of 188.23 g/mol, XLogP of -1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetylthiomorpholine-2-carboxylate is sourced from PubChem (CID 7129369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).