4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide

C9H20N2S4 — CID 175964705

IUPAC4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSC(CS)CSCCS
InChIInChI=1S/C9H20N2S4/c10-9(11)2-1-4-15-8(6-13)7-14-5-3-12/h8,12-13H,1-7H2,(H3,10,11)
InChIKeyNOJAFNOVMIMQEZ-UHFFFAOYSA-N
MW284.54 g/mol
LogP2.40
Rot. Bonds10

About 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide

4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide (PubChem CID 175964705) has the molecular formula C9H20N2S4 and a molecular weight of 284.54 g/mol. Its IUPAC name is 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide.

Molecular Properties

Compound Name4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide
PubChem CID175964705
Molecular FormulaC9H20N2S4
Molecular Weight284.54 g/mol
Exact Mass284.05
IUPAC Name4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSC(CS)CSCCS
InChIInChI=1S/C9H20N2S4/c10-9(11)2-1-4-15-8(6-13)7-14-5-3-12/h8,12-13H,1-7H2,(H3,10,11)
InChIKeyNOJAFNOVMIMQEZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide?
The IUPAC name of 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide (CID 175964705) is 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide.
What is the SMILES notation for 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide?
The canonical SMILES for 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide is [H]/N=C(\N)CCCSC(CS)CSCCS.
What is the InChIKey of 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide?
The InChIKey is NOJAFNOVMIMQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S4/c10-9(11)2-1-4-15-8(6-13)7-14-5-3-12/h8,12-13H,1-7H2,(H3,10,11).
What are the key properties of 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide?
4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide has a molecular weight of 284.54 g/mol, XLogP of 2.40, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylbutanimidamide is sourced from PubChem (CID 175964705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).