2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C17H28N4O3S — CID 72906922

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C17H28N4O3S/c1-5-21-15(11-14(4)18-21)25(23,24)19-10-8-17(12-19)7-6-9-20(13(2)3)16(17)22/h11,13H,5-10,12H2,1-4H3
InChIKeyMQJJGMISQCIHAK-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72906922) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72906922
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C17H28N4O3S/c1-5-21-15(11-14(4)18-21)25(23,24)19-10-8-17(12-19)7-6-9-20(13(2)3)16(17)22/h11,13H,5-10,12H2,1-4H3
InChIKeyMQJJGMISQCIHAK-UHFFFAOYSA-N
XLogP1.62
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one 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-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72906922) is 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CCn1nc(C)cc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MQJJGMISQCIHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-5-21-15(11-14(4)18-21)25(23,24)19-10-8-17(12-19)7-6-9-20(13(2)3)16(17)22/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72906922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).