1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide

C11H17N3O3S — CID 91767285

IUPAC1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cn1
InChIInChI=1S/C11H17N3O3S/c1-2-14-7-8(6-12-14)18(15,16)13-10-5-11-9(10)3-4-17-11/h6-7,9-11,13H,2-5H2,1H3/t9-,10-,11+/m1/s1
InChIKeyUVLWMVQCXDOGDB-MXWKQRLJSA-N
MW271.34 g/mol
LogP0.36
Rot. Bonds4

About 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide

1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide (PubChem CID 91767285) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide
PubChem CID91767285
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cn1
InChIInChI=1S/C11H17N3O3S/c1-2-14-7-8(6-12-14)18(15,16)13-10-5-11-9(10)3-4-17-11/h6-7,9-11,13H,2-5H2,1H3/t9-,10-,11+/m1/s1
InChIKeyUVLWMVQCXDOGDB-MXWKQRLJSA-N
XLogP0.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide (CID 91767285) is 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cn1.
What is the InChIKey of 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide?
The InChIKey is UVLWMVQCXDOGDB-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-14-7-8(6-12-14)18(15,16)13-10-5-11-9(10)3-4-17-11/h6-7,9-11,13H,2-5H2,1H3/t9-,10-,11+/m1/s1.
What are the key properties of 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide?
1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91767285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).