(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O3S — CID 97116530

IUPAC(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H28N4O3S/c1-2-22-16(7-10-19-22)26(24,25)21-12-9-18(14-21)8-4-11-20(17(18)23)13-15-5-3-6-15/h7,10,15H,2-6,8-9,11-14H2,1H3/t18-/m1/s1
InChIKeyIFRJNQFRHYFBTE-GOSISDBHSA-N
MW380.51 g/mol
LogP1.71
Rot. Bonds5

About (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97116530) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97116530
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H28N4O3S/c1-2-22-16(7-10-19-22)26(24,25)21-12-9-18(14-21)8-4-11-20(17(18)23)13-15-5-3-6-15/h7,10,15H,2-6,8-9,11-14H2,1H3/t18-/m1/s1
InChIKeyIFRJNQFRHYFBTE-GOSISDBHSA-N
XLogP1.71
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 97116530) is (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is CCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IFRJNQFRHYFBTE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-2-22-16(7-10-19-22)26(24,25)21-12-9-18(14-21)8-4-11-20(17(18)23)13-15-5-3-6-15/h7,10,15H,2-6,8-9,11-14H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 380.51 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclobutylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97116530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).