2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

C17H28N4O3S — CID 169161163

IUPAC2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCC(C)c1cc(S(=O)(=O)N2CC3(CN(C4CCOCC4)C3)C2)n(C)n1
InChIInChI=1S/C17H28N4O3S/c1-13(2)15-8-16(19(3)18-15)25(22,23)21-11-17(12-21)9-20(10-17)14-4-6-24-7-5-14/h8,13-14H,4-7,9-12H2,1-3H3
InChIKeyMNFPTYONPVKCRV-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.03
Rot. Bonds4

About 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (PubChem CID 169161163) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
PubChem CID169161163
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCC(C)c1cc(S(=O)(=O)N2CC3(CN(C4CCOCC4)C3)C2)n(C)n1
InChIInChI=1S/C17H28N4O3S/c1-13(2)15-8-16(19(3)18-15)25(22,23)21-11-17(12-21)9-20(10-17)14-4-6-24-7-5-14/h8,13-14H,4-7,9-12H2,1-3H3
InChIKeyMNFPTYONPVKCRV-UHFFFAOYSA-N
XLogP1.03
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (CID 169161163) is 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is CC(C)c1cc(S(=O)(=O)N2CC3(CN(C4CCOCC4)C3)C2)n(C)n1.
What is the InChIKey of 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is MNFPTYONPVKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-13(2)15-8-16(19(3)18-15)25(22,23)21-11-17(12-21)9-20(10-17)14-4-6-24-7-5-14/h8,13-14H,4-7,9-12H2,1-3H3.
What are the key properties of 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 368.50 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-propan-2-ylpyrazol-5-yl)sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 169161163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).