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

C11H23NS — CID 59840729

IUPAC4-(2,4-dimethylpentan-3-yl)thiomorpholine
SMILESCC(C)C(C(C)C)N1CCSCC1
InChIInChI=1S/C11H23NS/c1-9(2)11(10(3)4)12-5-7-13-8-6-12/h9-11H,5-8H2,1-4H3
InChIKeyLDQPGBPDYTUVBD-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.72
Rot. Bonds3

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

4-(2,4-dimethylpentan-3-yl)thiomorpholine (PubChem CID 59840729) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-3-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2,4-dimethylpentan-3-yl)thiomorpholine
PubChem CID59840729
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-(2,4-dimethylpentan-3-yl)thiomorpholine
SMILESCC(C)C(C(C)C)N1CCSCC1
InChIInChI=1S/C11H23NS/c1-9(2)11(10(3)4)12-5-7-13-8-6-12/h9-11H,5-8H2,1-4H3
InChIKeyLDQPGBPDYTUVBD-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentan-3-yl)thiomorpholine?
The IUPAC name of 4-(2,4-dimethylpentan-3-yl)thiomorpholine (CID 59840729) is 4-(2,4-dimethylpentan-3-yl)thiomorpholine.
What is the SMILES notation for 4-(2,4-dimethylpentan-3-yl)thiomorpholine?
The canonical SMILES for 4-(2,4-dimethylpentan-3-yl)thiomorpholine is CC(C)C(C(C)C)N1CCSCC1.
What is the InChIKey of 4-(2,4-dimethylpentan-3-yl)thiomorpholine?
The InChIKey is LDQPGBPDYTUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)11(10(3)4)12-5-7-13-8-6-12/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-(2,4-dimethylpentan-3-yl)thiomorpholine?
4-(2,4-dimethylpentan-3-yl)thiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpentan-3-yl)thiomorpholine is sourced from PubChem (CID 59840729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).