3-tert-butyl-2-propan-2-ylthiomorpholine

C11H23NS — CID 162496587

IUPAC3-tert-butyl-2-propan-2-ylthiomorpholine
SMILESCC(C)C1SCCNC1C(C)(C)C
InChIInChI=1S/C11H23NS/c1-8(2)9-10(11(3,4)5)12-6-7-13-9/h8-10,12H,6-7H2,1-5H3
InChIKeyHDESGPUKVHJQKA-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.76
Rot. Bonds1

About 3-tert-butyl-2-propan-2-ylthiomorpholine

3-tert-butyl-2-propan-2-ylthiomorpholine (PubChem CID 162496587) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-ylthiomorpholine
PubChem CID162496587
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-tert-butyl-2-propan-2-ylthiomorpholine
SMILESCC(C)C1SCCNC1C(C)(C)C
InChIInChI=1S/C11H23NS/c1-8(2)9-10(11(3,4)5)12-6-7-13-9/h8-10,12H,6-7H2,1-5H3
InChIKeyHDESGPUKVHJQKA-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-ylthiomorpholine?
The IUPAC name of 3-tert-butyl-2-propan-2-ylthiomorpholine (CID 162496587) is 3-tert-butyl-2-propan-2-ylthiomorpholine.
What is the SMILES notation for 3-tert-butyl-2-propan-2-ylthiomorpholine?
The canonical SMILES for 3-tert-butyl-2-propan-2-ylthiomorpholine is CC(C)C1SCCNC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-propan-2-ylthiomorpholine?
The InChIKey is HDESGPUKVHJQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-8(2)9-10(11(3,4)5)12-6-7-13-9/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-2-propan-2-ylthiomorpholine?
3-tert-butyl-2-propan-2-ylthiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-ylthiomorpholine is sourced from PubChem (CID 162496587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).