3-thiomorpholin-4-ylpentanethioamide

C9H18N2S2 — CID 43367808

IUPAC3-thiomorpholin-4-ylpentanethioamide
SMILESCCC(CC(N)=S)N1CCSCC1
InChIInChI=1S/C9H18N2S2/c1-2-8(7-9(10)12)11-3-5-13-6-4-11/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyASYUGCAMOPMTPK-UHFFFAOYSA-N
MW218.39 g/mol
LogP1.49
Rot. Bonds4

About 3-thiomorpholin-4-ylpentanethioamide

3-thiomorpholin-4-ylpentanethioamide (PubChem CID 43367808) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 3-thiomorpholin-4-ylpentanethioamide.

Molecular Properties

Compound Name3-thiomorpholin-4-ylpentanethioamide
PubChem CID43367808
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC Name3-thiomorpholin-4-ylpentanethioamide
SMILESCCC(CC(N)=S)N1CCSCC1
InChIInChI=1S/C9H18N2S2/c1-2-8(7-9(10)12)11-3-5-13-6-4-11/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyASYUGCAMOPMTPK-UHFFFAOYSA-N
XLogP1.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-thiomorpholin-4-ylpentanethioamide?
The IUPAC name of 3-thiomorpholin-4-ylpentanethioamide (CID 43367808) is 3-thiomorpholin-4-ylpentanethioamide.
What is the SMILES notation for 3-thiomorpholin-4-ylpentanethioamide?
The canonical SMILES for 3-thiomorpholin-4-ylpentanethioamide is CCC(CC(N)=S)N1CCSCC1.
What is the InChIKey of 3-thiomorpholin-4-ylpentanethioamide?
The InChIKey is ASYUGCAMOPMTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S2/c1-2-8(7-9(10)12)11-3-5-13-6-4-11/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 3-thiomorpholin-4-ylpentanethioamide?
3-thiomorpholin-4-ylpentanethioamide has a molecular weight of 218.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-ylpentanethioamide is sourced from PubChem (CID 43367808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).