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

C17H28N4O3S — CID 72892530

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(S(=O)(=O)c3cc(C)nn3CC)C2)C1=O
InChIInChI=1S/C17H28N4O3S/c1-4-9-19-10-6-7-17(16(19)22)8-11-20(13-17)25(23,24)15-12-14(3)18-21(15)5-2/h12H,4-11,13H2,1-3H3
InChIKeySAPOCKVRSKDAQI-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.62
Rot. Bonds5

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

2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72892530) 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-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72892530
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(S(=O)(=O)c3cc(C)nn3CC)C2)C1=O
InChIInChI=1S/C17H28N4O3S/c1-4-9-19-10-6-7-17(16(19)22)8-11-20(13-17)25(23,24)15-12-14(3)18-21(15)5-2/h12H,4-11,13H2,1-3H3
InChIKeySAPOCKVRSKDAQI-UHFFFAOYSA-N
XLogP1.62
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 72892530) is 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(S(=O)(=O)c3cc(C)nn3CC)C2)C1=O.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SAPOCKVRSKDAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-9-19-10-6-7-17(16(19)22)8-11-20(13-17)25(23,24)15-12-14(3)18-21(15)5-2/h12H,4-11,13H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.50 g/mol, XLogP of 1.62, 5 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-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72892530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).