2-propan-2-ylthiomorpholine

C7H15NS — CID 56807259

IUPAC2-propan-2-ylthiomorpholine
SMILESCC(C)C1CNCCS1
InChIInChI=1S/C7H15NS/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3
InChIKeyPZXQCEVMESPTFU-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.35
Rot. Bonds1

About 2-propan-2-ylthiomorpholine

2-propan-2-ylthiomorpholine (PubChem CID 56807259) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name2-propan-2-ylthiomorpholine
PubChem CID56807259
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-propan-2-ylthiomorpholine
SMILESCC(C)C1CNCCS1
InChIInChI=1S/C7H15NS/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3
InChIKeyPZXQCEVMESPTFU-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiomorpholine?
The IUPAC name of 2-propan-2-ylthiomorpholine (CID 56807259) is 2-propan-2-ylthiomorpholine.
What is the SMILES notation for 2-propan-2-ylthiomorpholine?
The canonical SMILES for 2-propan-2-ylthiomorpholine is CC(C)C1CNCCS1.
What is the InChIKey of 2-propan-2-ylthiomorpholine?
The InChIKey is PZXQCEVMESPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylthiomorpholine?
2-propan-2-ylthiomorpholine has a molecular weight of 145.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiomorpholine is sourced from PubChem (CID 56807259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).