(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol

C14H21NOS — CID 104874578

IUPAC(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol
SMILESCC1SCCN(c2ccc([C@H](C)O)cc2)C1C
InChIInChI=1S/C14H21NOS/c1-10-12(3)17-9-8-15(10)14-6-4-13(5-7-14)11(2)16/h4-7,10-12,16H,8-9H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyMHWODUGJHLRCLC-CXQJBGSLSA-N
MW251.40 g/mol
LogP3.07
Rot. Bonds2

About (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol

(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol (PubChem CID 104874578) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol
PubChem CID104874578
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol
SMILESCC1SCCN(c2ccc([C@H](C)O)cc2)C1C
InChIInChI=1S/C14H21NOS/c1-10-12(3)17-9-8-15(10)14-6-4-13(5-7-14)11(2)16/h4-7,10-12,16H,8-9H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyMHWODUGJHLRCLC-CXQJBGSLSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol (CID 104874578) is (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol is CC1SCCN(c2ccc([C@H](C)O)cc2)C1C.
What is the InChIKey of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol?
The InChIKey is MHWODUGJHLRCLC-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-12(3)17-9-8-15(10)14-6-4-13(5-7-14)11(2)16/h4-7,10-12,16H,8-9H2,1-3H3/t10?,11-,12?/m0/s1.
What are the key properties of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol?
(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol has a molecular weight of 251.40 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 104874578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).