3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

C14H20N4OS3 — CID 73443125

IUPAC3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCN(C)CCSSCCC(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C14H20N4OS3/c1-18(2)6-9-22-21-8-5-14(19)15-13-10-11(16-17-13)12-4-3-7-20-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,15,16,17,19)
InChIKeyONALXQPEOPTARG-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.41
Rot. Bonds9

About 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 73443125) has the molecular formula C14H20N4OS3 and a molecular weight of 356.54 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID73443125
Molecular FormulaC14H20N4OS3
Molecular Weight356.54 g/mol
Exact Mass356.08
IUPAC Name3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCN(C)CCSSCCC(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C14H20N4OS3/c1-18(2)6-9-22-21-8-5-14(19)15-13-10-11(16-17-13)12-4-3-7-20-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,15,16,17,19)
InChIKeyONALXQPEOPTARG-UHFFFAOYSA-N
XLogP3.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (CID 73443125) is 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is CN(C)CCSSCCC(=O)Nc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is ONALXQPEOPTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS3/c1-18(2)6-9-22-21-8-5-14(19)15-13-10-11(16-17-13)12-4-3-7-20-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 356.54 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 73443125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).