N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H18N4O3S — CID 66212908

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C11H18N4O3S/c1-6-8(5-13-14-6)19(16,17)15-10-9(12)7-3-2-4-18-11(7)10/h5,7,9-11,15H,2-4,12H2,1H3,(H,13,14)
InChIKeyDLLGOTFBFKCCLP-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.50
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 66212908) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID66212908
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C11H18N4O3S/c1-6-8(5-13-14-6)19(16,17)15-10-9(12)7-3-2-4-18-11(7)10/h5,7,9-11,15H,2-4,12H2,1H3,(H,13,14)
InChIKeyDLLGOTFBFKCCLP-UHFFFAOYSA-N
XLogP-0.50
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide with MolForge

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Related Compounds

5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide
CID 66211739
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide
CID 66210964
5-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazole-4-sulfonamide
CID 61273649
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66212696
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
CID 66197692
N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248754
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 66195378
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 66212908) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DLLGOTFBFKCCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-6-8(5-13-14-6)19(16,17)15-10-9(12)7-3-2-4-18-11(7)10/h5,7,9-11,15H,2-4,12H2,1H3,(H,13,14).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 66212908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).