2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C15H26N4O3S — CID 91910516

IUPAC2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCn1cc(S(=O)(=O)N2CC(COC)C3(CCNCC3)C2)cn1
InChIInChI=1S/C15H26N4O3S/c1-3-18-10-14(8-17-18)23(20,21)19-9-13(11-22-2)15(12-19)4-6-16-7-5-15/h8,10,13,16H,3-7,9,11-12H2,1-2H3
InChIKeySXSDDVNQFIZBSN-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.54
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910516) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910516
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCn1cc(S(=O)(=O)N2CC(COC)C3(CCNCC3)C2)cn1
InChIInChI=1S/C15H26N4O3S/c1-3-18-10-14(8-17-18)23(20,21)19-9-13(11-22-2)15(12-19)4-6-16-7-5-15/h8,10,13,16H,3-7,9,11-12H2,1-2H3
InChIKeySXSDDVNQFIZBSN-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910516) is 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is CCn1cc(S(=O)(=O)N2CC(COC)C3(CCNCC3)C2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is SXSDDVNQFIZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-3-18-10-14(8-17-18)23(20,21)19-9-13(11-22-2)15(12-19)4-6-16-7-5-15/h8,10,13,16H,3-7,9,11-12H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 342.47 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).