2-methyl-1-morpholin-4-ylpentane-1-thione

C10H19NOS — CID 134875719

IUPAC2-methyl-1-morpholin-4-ylpentane-1-thione
SMILESCCCC(C)C(=S)N1CCOCC1
InChIInChI=1S/C10H19NOS/c1-3-4-9(2)10(13)11-5-7-12-8-6-11/h9H,3-8H2,1-2H3
InChIKeyHYKDLABIFKCSRL-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-1-morpholin-4-ylpentane-1-thione

2-methyl-1-morpholin-4-ylpentane-1-thione (PubChem CID 134875719) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-ylpentane-1-thione.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-ylpentane-1-thione
PubChem CID134875719
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-methyl-1-morpholin-4-ylpentane-1-thione
SMILESCCCC(C)C(=S)N1CCOCC1
InChIInChI=1S/C10H19NOS/c1-3-4-9(2)10(13)11-5-7-12-8-6-11/h9H,3-8H2,1-2H3
InChIKeyHYKDLABIFKCSRL-UHFFFAOYSA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-ylpentane-1-thione?
The IUPAC name of 2-methyl-1-morpholin-4-ylpentane-1-thione (CID 134875719) is 2-methyl-1-morpholin-4-ylpentane-1-thione.
What is the SMILES notation for 2-methyl-1-morpholin-4-ylpentane-1-thione?
The canonical SMILES for 2-methyl-1-morpholin-4-ylpentane-1-thione is CCCC(C)C(=S)N1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-ylpentane-1-thione?
The InChIKey is HYKDLABIFKCSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-4-9(2)10(13)11-5-7-12-8-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-morpholin-4-ylpentane-1-thione?
2-methyl-1-morpholin-4-ylpentane-1-thione has a molecular weight of 201.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-ylpentane-1-thione is sourced from PubChem (CID 134875719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).