(2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol

C9H19NOS — CID 170651013

IUPAC(2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol
SMILESCC(C)[C@H](CO)N1CCSCC1
InChIInChI=1S/C9H19NOS/c1-8(2)9(7-11)10-3-5-12-6-4-10/h8-9,11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyGOKFPLYAGLHAJL-VIFPVBQESA-N
MW189.32 g/mol
LogP1.05
Rot. Bonds3

About (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol

(2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol (PubChem CID 170651013) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol
PubChem CID170651013
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol
SMILESCC(C)[C@H](CO)N1CCSCC1
InChIInChI=1S/C9H19NOS/c1-8(2)9(7-11)10-3-5-12-6-4-10/h8-9,11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyGOKFPLYAGLHAJL-VIFPVBQESA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol?
The IUPAC name of (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol (CID 170651013) is (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol is CC(C)[C@H](CO)N1CCSCC1.
What is the InChIKey of (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol?
The InChIKey is GOKFPLYAGLHAJL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)9(7-11)10-3-5-12-6-4-10/h8-9,11H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol?
(2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol is sourced from PubChem (CID 170651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).