4-propan-2-ylthiomorpholine

C7H15NS — CID 22951093

IUPAC4-propan-2-ylthiomorpholine
SMILESCC(C)N1CCSCC1
InChIInChI=1S/C7H15NS/c1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H3
InChIKeyIJFOEELDPVHEGL-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds1

About 4-propan-2-ylthiomorpholine

4-propan-2-ylthiomorpholine (PubChem CID 22951093) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name4-propan-2-ylthiomorpholine
PubChem CID22951093
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name4-propan-2-ylthiomorpholine
SMILESCC(C)N1CCSCC1
InChIInChI=1S/C7H15NS/c1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H3
InChIKeyIJFOEELDPVHEGL-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylthiomorpholine?
The IUPAC name of 4-propan-2-ylthiomorpholine (CID 22951093) is 4-propan-2-ylthiomorpholine.
What is the SMILES notation for 4-propan-2-ylthiomorpholine?
The canonical SMILES for 4-propan-2-ylthiomorpholine is CC(C)N1CCSCC1.
What is the InChIKey of 4-propan-2-ylthiomorpholine?
The InChIKey is IJFOEELDPVHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylthiomorpholine?
4-propan-2-ylthiomorpholine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylthiomorpholine is sourced from PubChem (CID 22951093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).