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

C16H26N4O3S — CID 72906404

IUPAC2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nccc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C16H26N4O3S/c1-4-20-14(6-9-17-20)24(22,23)18-11-8-16(12-18)7-5-10-19(13(2)3)15(16)21/h6,9,13H,4-5,7-8,10-12H2,1-3H3
InChIKeyPBHGSLZXSDORFY-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.31
Rot. Bonds4

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

2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72906404) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72906404
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nccc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C16H26N4O3S/c1-4-20-14(6-9-17-20)24(22,23)18-11-8-16(12-18)7-5-10-19(13(2)3)15(16)21/h6,9,13H,4-5,7-8,10-12H2,1-3H3
InChIKeyPBHGSLZXSDORFY-UHFFFAOYSA-N
XLogP1.31
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72906404) is 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CCn1nccc1S(=O)(=O)N1CCC2(CCCN(C(C)C)C2=O)C1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PBHGSLZXSDORFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-20-14(6-9-17-20)24(22,23)18-11-8-16(12-18)7-5-10-19(13(2)3)15(16)21/h6,9,13H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 354.48 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72906404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).