N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide

C7H14N6O5S2 — CID 166855143

IUPACN-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NO)c1nonc1SC[C@H](O)CNS(N)(=O)=O
InChIInChI=1S/C7H14N6O5S2/c1-9-6(11-15)5-7(13-18-12-5)19-3-4(14)2-10-20(8,16)17/h4,10,14-15H,2-3H2,1H3,(H,9,11)(H2,8,16,17)/t4-/m1/s1
InChIKeyFOTLNWYXIISZMB-SCSAIBSYSA-N
MW326.36 g/mol
LogP-2.33
Rot. Bonds7

About N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide

N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 166855143) has the molecular formula C7H14N6O5S2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
PubChem CID166855143
Molecular FormulaC7H14N6O5S2
Molecular Weight326.36 g/mol
Exact Mass326.05
IUPAC NameN-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NO)c1nonc1SC[C@H](O)CNS(N)(=O)=O
InChIInChI=1S/C7H14N6O5S2/c1-9-6(11-15)5-7(13-18-12-5)19-3-4(14)2-10-20(8,16)17/h4,10,14-15H,2-3H2,1H3,(H,9,11)(H2,8,16,17)/t4-/m1/s1
InChIKeyFOTLNWYXIISZMB-SCSAIBSYSA-N
XLogP-2.33
TPSA175.96 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide (CID 166855143) is N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide is C/N=C(\NO)c1nonc1SC[C@H](O)CNS(N)(=O)=O.
What is the InChIKey of N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is FOTLNWYXIISZMB-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H14N6O5S2/c1-9-6(11-15)5-7(13-18-12-5)19-3-4(14)2-10-20(8,16)17/h4,10,14-15H,2-3H2,1H3,(H,9,11)(H2,8,16,17)/t4-/m1/s1.
What are the key properties of N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 326.36 g/mol, XLogP of -2.33, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2R)-2-hydroxy-3-(sulfamoylamino)propyl]sulfanyl-N'-methyl-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 166855143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).