5-[di(thiophen-3-yl)methylsulfinyl]pentanamide

C14H17NO2S3 — CID 10131438

IUPAC5-[di(thiophen-3-yl)methylsulfinyl]pentanamide
SMILESNC(=O)CCCCS(=O)C(c1ccsc1)c1ccsc1
InChIInChI=1S/C14H17NO2S3/c15-13(16)3-1-2-8-20(17)14(11-4-6-18-9-11)12-5-7-19-10-12/h4-7,9-10,14H,1-3,8H2,(H2,15,16)
InChIKeyXOHWGTXPTOMEEZ-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.30
Rot. Bonds8

About 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide

5-[di(thiophen-3-yl)methylsulfinyl]pentanamide (PubChem CID 10131438) has the molecular formula C14H17NO2S3 and a molecular weight of 327.50 g/mol. Its IUPAC name is 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide.

Molecular Properties

Compound Name5-[di(thiophen-3-yl)methylsulfinyl]pentanamide
PubChem CID10131438
Molecular FormulaC14H17NO2S3
Molecular Weight327.50 g/mol
Exact Mass327.04
IUPAC Name5-[di(thiophen-3-yl)methylsulfinyl]pentanamide
SMILESNC(=O)CCCCS(=O)C(c1ccsc1)c1ccsc1
InChIInChI=1S/C14H17NO2S3/c15-13(16)3-1-2-8-20(17)14(11-4-6-18-9-11)12-5-7-19-10-12/h4-7,9-10,14H,1-3,8H2,(H2,15,16)
InChIKeyXOHWGTXPTOMEEZ-UHFFFAOYSA-N
XLogP3.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide?
The IUPAC name of 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide (CID 10131438) is 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide.
What is the SMILES notation for 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide?
The canonical SMILES for 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide is NC(=O)CCCCS(=O)C(c1ccsc1)c1ccsc1.
What is the InChIKey of 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide?
The InChIKey is XOHWGTXPTOMEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S3/c15-13(16)3-1-2-8-20(17)14(11-4-6-18-9-11)12-5-7-19-10-12/h4-7,9-10,14H,1-3,8H2,(H2,15,16).
What are the key properties of 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide?
5-[di(thiophen-3-yl)methylsulfinyl]pentanamide has a molecular weight of 327.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(thiophen-3-yl)methylsulfinyl]pentanamide is sourced from PubChem (CID 10131438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).