4-(2,3,3-trimethylbutan-2-yl)thiomorpholine

C11H23NS — CID 58374219

IUPAC4-(2,3,3-trimethylbutan-2-yl)thiomorpholine
SMILESCC(C)(C)C(C)(C)N1CCSCC1
InChIInChI=1S/C11H23NS/c1-10(2,3)11(4,5)12-6-8-13-9-7-12/h6-9H2,1-5H3
InChIKeyJXCQJPMJVBOEPF-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds1

About 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine

4-(2,3,3-trimethylbutan-2-yl)thiomorpholine (PubChem CID 58374219) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2,3,3-trimethylbutan-2-yl)thiomorpholine
PubChem CID58374219
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-(2,3,3-trimethylbutan-2-yl)thiomorpholine
SMILESCC(C)(C)C(C)(C)N1CCSCC1
InChIInChI=1S/C11H23NS/c1-10(2,3)11(4,5)12-6-8-13-9-7-12/h6-9H2,1-5H3
InChIKeyJXCQJPMJVBOEPF-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine?
The IUPAC name of 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine (CID 58374219) is 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine.
What is the SMILES notation for 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine?
The canonical SMILES for 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine is CC(C)(C)C(C)(C)N1CCSCC1.
What is the InChIKey of 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine?
The InChIKey is JXCQJPMJVBOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2,3)11(4,5)12-6-8-13-9-7-12/h6-9H2,1-5H3.
What are the key properties of 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine?
4-(2,3,3-trimethylbutan-2-yl)thiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trimethylbutan-2-yl)thiomorpholine is sourced from PubChem (CID 58374219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).