4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide

C6H11N5O3S2 — CID 154601094

IUPAC4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1SCCNS(C)(=O)=O
InChIInChI=1S/C6H11N5O3S2/c1-16(12,13)9-2-3-15-6-4(5(7)8)10-14-11-6/h9H,2-3H2,1H3,(H3,7,8)
InChIKeyFJQBPURRHCFIDR-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.01
Rot. Bonds6

About 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide

4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 154601094) has the molecular formula C6H11N5O3S2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID154601094
Molecular FormulaC6H11N5O3S2
Molecular Weight265.32 g/mol
Exact Mass265.03
IUPAC Name4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1SCCNS(C)(=O)=O
InChIInChI=1S/C6H11N5O3S2/c1-16(12,13)9-2-3-15-6-4(5(7)8)10-14-11-6/h9H,2-3H2,1H3,(H3,7,8)
InChIKeyFJQBPURRHCFIDR-UHFFFAOYSA-N
XLogP-1.01
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide (CID 154601094) is 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide is [H]/N=C(\N)c1nonc1SCCNS(C)(=O)=O.
What is the InChIKey of 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is FJQBPURRHCFIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S2/c1-16(12,13)9-2-3-15-6-4(5(7)8)10-14-11-6/h9H,2-3H2,1H3,(H3,7,8).
What are the key properties of 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide?
4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 154601094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).