methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride

C8H16ClNO2S — CID 146155229

IUPACmethyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1NCCSC1(C)C.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-8(2)6(7(10)11-3)9-4-5-12-8;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1
InChIKeyBHYPNLDOMYQZEM-RGMNGODLSA-N
MW225.74 g/mol
LogP1.06
Rot. Bonds1

About methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride

methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride (PubChem CID 146155229) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride
PubChem CID146155229
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Namemethyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1NCCSC1(C)C.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-8(2)6(7(10)11-3)9-4-5-12-8;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1
InChIKeyBHYPNLDOMYQZEM-RGMNGODLSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride (CID 146155229) is methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride is COC(=O)[C@@H]1NCCSC1(C)C.Cl.
What is the InChIKey of methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride?
The InChIKey is BHYPNLDOMYQZEM-RGMNGODLSA-N. The full InChI is InChI=1S/C8H15NO2S.ClH/c1-8(2)6(7(10)11-3)9-4-5-12-8;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride?
methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146155229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).