1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol

C14H21NOS — CID 62622922

IUPAC1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
SMILESCc1ccccc1C(O)CCN1CCSCC1
InChIInChI=1S/C14H21NOS/c1-12-4-2-3-5-13(12)14(16)6-7-15-8-10-17-11-9-15/h2-5,14,16H,6-11H2,1H3
InChIKeyVWWINWKLFGWBMQ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol

1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol (PubChem CID 62622922) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
PubChem CID62622922
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
SMILESCc1ccccc1C(O)CCN1CCSCC1
InChIInChI=1S/C14H21NOS/c1-12-4-2-3-5-13(12)14(16)6-7-15-8-10-17-11-9-15/h2-5,14,16H,6-11H2,1H3
InChIKeyVWWINWKLFGWBMQ-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 63159696
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 82781081
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol (CID 62622922) is 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol is Cc1ccccc1C(O)CCN1CCSCC1.
What is the InChIKey of 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The InChIKey is VWWINWKLFGWBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-12-4-2-3-5-13(12)14(16)6-7-15-8-10-17-11-9-15/h2-5,14,16H,6-11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol?
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol has a molecular weight of 251.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol is sourced from PubChem (CID 62622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).