2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole

C5H8N4O3S — CID 112573554

IUPAC2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole
SMILESNS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C5H8N4O3S/c6-13(10,11)9-5-8-7-4(12-5)3-1-2-3/h3H,1-2H2,(H,8,9)(H2,6,10,11)
InChIKeyQYDUPWDUAZNHSL-UHFFFAOYSA-N
MW204.21 g/mol
LogP-0.44
Rot. Bonds3

About 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole

2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole (PubChem CID 112573554) has the molecular formula C5H8N4O3S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole
PubChem CID112573554
Molecular FormulaC5H8N4O3S
Molecular Weight204.21 g/mol
Exact Mass204.03
IUPAC Name2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole
SMILESNS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C5H8N4O3S/c6-13(10,11)9-5-8-7-4(12-5)3-1-2-3/h3H,1-2H2,(H,8,9)(H2,6,10,11)
InChIKeyQYDUPWDUAZNHSL-UHFFFAOYSA-N
XLogP-0.44
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole (CID 112573554) is 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole is NS(=O)(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole?
The InChIKey is QYDUPWDUAZNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3S/c6-13(10,11)9-5-8-7-4(12-5)3-1-2-3/h3H,1-2H2,(H,8,9)(H2,6,10,11).
What are the key properties of 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole?
2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole has a molecular weight of 204.21 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(sulfamoylamino)-1,3,4-oxadiazole is sourced from PubChem (CID 112573554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).