2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol

C9H19NO2S — CID 106246346

IUPAC2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESCSCC(C)(O)CN1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-9(11,8-13-2)7-10-3-5-12-6-4-10/h11H,3-8H2,1-2H3
InChIKeyBDMBDEIUDVHKGT-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.43
Rot. Bonds4

About 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol

2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 106246346) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol
PubChem CID106246346
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESCSCC(C)(O)CN1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-9(11,8-13-2)7-10-3-5-12-6-4-10/h11H,3-8H2,1-2H3
InChIKeyBDMBDEIUDVHKGT-UHFFFAOYSA-N
XLogP0.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol (CID 106246346) is 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol is CSCC(C)(O)CN1CCOCC1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is BDMBDEIUDVHKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(11,8-13-2)7-10-3-5-12-6-4-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol?
2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 205.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 106246346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).