4-(4,4-dimethylpentyl)thiomorpholine

C11H23NS — CID 21030124

IUPAC4-(4,4-dimethylpentyl)thiomorpholine
SMILESCC(C)(C)CCCN1CCSCC1
InChIInChI=1S/C11H23NS/c1-11(2,3)5-4-6-12-7-9-13-10-8-12/h4-10H2,1-3H3
InChIKeyULWDGGLXSHYAGF-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds3

About 4-(4,4-dimethylpentyl)thiomorpholine

4-(4,4-dimethylpentyl)thiomorpholine (PubChem CID 21030124) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-(4,4-dimethylpentyl)thiomorpholine.

Molecular Properties

Compound Name4-(4,4-dimethylpentyl)thiomorpholine
PubChem CID21030124
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-(4,4-dimethylpentyl)thiomorpholine
SMILESCC(C)(C)CCCN1CCSCC1
InChIInChI=1S/C11H23NS/c1-11(2,3)5-4-6-12-7-9-13-10-8-12/h4-10H2,1-3H3
InChIKeyULWDGGLXSHYAGF-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpentyl)thiomorpholine?
The IUPAC name of 4-(4,4-dimethylpentyl)thiomorpholine (CID 21030124) is 4-(4,4-dimethylpentyl)thiomorpholine.
What is the SMILES notation for 4-(4,4-dimethylpentyl)thiomorpholine?
The canonical SMILES for 4-(4,4-dimethylpentyl)thiomorpholine is CC(C)(C)CCCN1CCSCC1.
What is the InChIKey of 4-(4,4-dimethylpentyl)thiomorpholine?
The InChIKey is ULWDGGLXSHYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2,3)5-4-6-12-7-9-13-10-8-12/h4-10H2,1-3H3.
What are the key properties of 4-(4,4-dimethylpentyl)thiomorpholine?
4-(4,4-dimethylpentyl)thiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpentyl)thiomorpholine is sourced from PubChem (CID 21030124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).