2-hydroxyethyl thiomorpholine-4-carboxylate

C7H13NO3S — CID 79345320

IUPAC2-hydroxyethyl thiomorpholine-4-carboxylate
SMILESO=C(OCCO)N1CCSCC1
InChIInChI=1S/C7H13NO3S/c9-3-4-11-7(10)8-1-5-12-6-2-8/h9H,1-6H2
InChIKeyMMFXOTBFRXVMLL-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.16
Rot. Bonds2

About 2-hydroxyethyl thiomorpholine-4-carboxylate

2-hydroxyethyl thiomorpholine-4-carboxylate (PubChem CID 79345320) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-hydroxyethyl thiomorpholine-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl thiomorpholine-4-carboxylate
PubChem CID79345320
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-hydroxyethyl thiomorpholine-4-carboxylate
SMILESO=C(OCCO)N1CCSCC1
InChIInChI=1S/C7H13NO3S/c9-3-4-11-7(10)8-1-5-12-6-2-8/h9H,1-6H2
InChIKeyMMFXOTBFRXVMLL-UHFFFAOYSA-N
XLogP0.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
CID 79345346
3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 79349412
2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 79346575
2-hydroxyethyl 4,4-dimethylazepane-1-carboxylate
CID 79349080
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546
2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 112629389
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
CID 79348567
2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate
CID 79349145
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
tert-butyl 1,4,7,10-tetrathia-13-azacyclopentadecane-13-carboxylate
CID 166609732

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl thiomorpholine-4-carboxylate?
The IUPAC name of 2-hydroxyethyl thiomorpholine-4-carboxylate (CID 79345320) is 2-hydroxyethyl thiomorpholine-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl thiomorpholine-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl thiomorpholine-4-carboxylate is O=C(OCCO)N1CCSCC1.
What is the InChIKey of 2-hydroxyethyl thiomorpholine-4-carboxylate?
The InChIKey is MMFXOTBFRXVMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c9-3-4-11-7(10)8-1-5-12-6-2-8/h9H,1-6H2.
What are the key properties of 2-hydroxyethyl thiomorpholine-4-carboxylate?
2-hydroxyethyl thiomorpholine-4-carboxylate has a molecular weight of 191.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl thiomorpholine-4-carboxylate is sourced from PubChem (CID 79345320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).