2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide

C18H24N4O3S — CID 155255847

IUPAC2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1cc(OCC2CC23CCN(S(N)(=O)=O)CC3)n(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O3S/c1-14-11-17(22(20-14)16-5-3-2-4-6-16)25-13-15-12-18(15)7-9-21(10-8-18)26(19,23)24/h2-6,11,15H,7-10,12-13H2,1H3,(H2,19,23,24)
InChIKeyHWRLMOAOLFLRRN-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.87
Rot. Bonds5

About 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide

2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155255847) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155255847
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1cc(OCC2CC23CCN(S(N)(=O)=O)CC3)n(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O3S/c1-14-11-17(22(20-14)16-5-3-2-4-6-16)25-13-15-12-18(15)7-9-21(10-8-18)26(19,23)24/h2-6,11,15H,7-10,12-13H2,1H3,(H2,19,23,24)
InChIKeyHWRLMOAOLFLRRN-UHFFFAOYSA-N
XLogP1.87
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155255847) is 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide is Cc1cc(OCC2CC23CCN(S(N)(=O)=O)CC3)n(-c2ccccc2)n1.
What is the InChIKey of 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is HWRLMOAOLFLRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14-11-17(22(20-14)16-5-3-2-4-6-16)25-13-15-12-18(15)7-9-21(10-8-18)26(19,23)24/h2-6,11,15H,7-10,12-13H2,1H3,(H2,19,23,24).
What are the key properties of 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155255847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).