7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O3S — CID 72935620

IUPAC7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)cn1
InChIInChI=1S/C18H28N4O3S/c1-2-21-13-16(11-19-21)26(24,25)22-10-8-18(14-22)7-4-9-20(17(18)23)12-15-5-3-6-15/h11,13,15H,2-10,12,14H2,1H3
InChIKeyYZQMYMBVIYOVHZ-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.71
Rot. Bonds5

About 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72935620) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72935620
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)cn1
InChIInChI=1S/C18H28N4O3S/c1-2-21-13-16(11-19-21)26(24,25)22-10-8-18(14-22)7-4-9-20(17(18)23)12-15-5-3-6-15/h11,13,15H,2-10,12,14H2,1H3
InChIKeyYZQMYMBVIYOVHZ-UHFFFAOYSA-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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Related Compounds

7-isopropyl-2-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72847978
2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72906404
2-(3-methylbutyl)-8-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72843860
7-(cyclopropylmethyl)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72851233
3-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-1-propanone
CID 91910349
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199435
5-{1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]piperidine-4-carbonyl}-1,5-diazacycloundecan-2-one
CID 110201741
2-cyclopropyl-9-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72856561
9-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-isopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72869808
(5S)-7-(cyclopropylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97114479
(5S)-7-(cyclopropylmethyl)-2-(2-ethylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97149981
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053463

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 72935620) is 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is CCn1cc(S(=O)(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)cn1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YZQMYMBVIYOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-2-21-13-16(11-19-21)26(24,25)22-10-8-18(14-22)7-4-9-20(17(18)23)12-15-5-3-6-15/h11,13,15H,2-10,12,14H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-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 7-(cyclobutylmethyl)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72935620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).