[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride

C7H16ClNOS — CID 146155553

IUPAC[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride
SMILESCC1(C)SCCN[C@H]1CO.Cl
InChIInChI=1S/C7H15NOS.ClH/c1-7(2)6(5-9)8-3-4-10-7;/h6,8-9H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyNOVPHBGSPZWERR-RGMNGODLSA-N
MW197.73 g/mol
LogP0.88
Rot. Bonds1

About [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride

[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride (PubChem CID 146155553) has the molecular formula C7H16ClNOS and a molecular weight of 197.73 g/mol. Its IUPAC name is [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride
PubChem CID146155553
Molecular FormulaC7H16ClNOS
Molecular Weight197.73 g/mol
Exact Mass197.06
IUPAC Name[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride
SMILESCC1(C)SCCN[C@H]1CO.Cl
InChIInChI=1S/C7H15NOS.ClH/c1-7(2)6(5-9)8-3-4-10-7;/h6,8-9H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyNOVPHBGSPZWERR-RGMNGODLSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.73
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride (CID 146155553) is [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride is CC1(C)SCCN[C@H]1CO.Cl.
What is the InChIKey of [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride?
The InChIKey is NOVPHBGSPZWERR-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NOS.ClH/c1-7(2)6(5-9)8-3-4-10-7;/h6,8-9H,3-5H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride?
[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride has a molecular weight of 197.73 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,2-dimethylthiomorpholin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 146155553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).