2-(3-methylthiomorpholin-4-yl)propan-1-ol

C8H17NOS — CID 126976001

IUPAC2-(3-methylthiomorpholin-4-yl)propan-1-ol
SMILESCC(CO)N1CCSCC1C
InChIInChI=1S/C8H17NOS/c1-7(5-10)9-3-4-11-6-8(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyROJMYNOZYMUQRL-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.80
Rot. Bonds2

About 2-(3-methylthiomorpholin-4-yl)propan-1-ol

2-(3-methylthiomorpholin-4-yl)propan-1-ol (PubChem CID 126976001) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(3-methylthiomorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-methylthiomorpholin-4-yl)propan-1-ol
PubChem CID126976001
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(3-methylthiomorpholin-4-yl)propan-1-ol
SMILESCC(CO)N1CCSCC1C
InChIInChI=1S/C8H17NOS/c1-7(5-10)9-3-4-11-6-8(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyROJMYNOZYMUQRL-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiomorpholin-4-yl)propan-1-ol?
The IUPAC name of 2-(3-methylthiomorpholin-4-yl)propan-1-ol (CID 126976001) is 2-(3-methylthiomorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 2-(3-methylthiomorpholin-4-yl)propan-1-ol?
The canonical SMILES for 2-(3-methylthiomorpholin-4-yl)propan-1-ol is CC(CO)N1CCSCC1C.
What is the InChIKey of 2-(3-methylthiomorpholin-4-yl)propan-1-ol?
The InChIKey is ROJMYNOZYMUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(5-10)9-3-4-11-6-8(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylthiomorpholin-4-yl)propan-1-ol?
2-(3-methylthiomorpholin-4-yl)propan-1-ol has a molecular weight of 175.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiomorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 126976001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).