[8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone

C19H30N2O2S — CID 3544228

IUPAC[8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone
SMILESO=C(C1CCC1)N1CCC2(CC1)SCCN2C(=O)C1CCCCC1
InChIInChI=1S/C19H30N2O2S/c22-17(15-7-4-8-15)20-11-9-19(10-12-20)21(13-14-24-19)18(23)16-5-2-1-3-6-16/h15-16H,1-14H2
InChIKeyAVJYZZPPMJSHCM-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.26
Rot. Bonds2

About [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone

[8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone (PubChem CID 3544228) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone
PubChem CID3544228
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name[8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone
SMILESO=C(C1CCC1)N1CCC2(CC1)SCCN2C(=O)C1CCCCC1
InChIInChI=1S/C19H30N2O2S/c22-17(15-7-4-8-15)20-11-9-19(10-12-20)21(13-14-24-19)18(23)16-5-2-1-3-6-16/h15-16H,1-14H2
InChIKeyAVJYZZPPMJSHCM-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone?
The IUPAC name of [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone (CID 3544228) is [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone.
What is the SMILES notation for [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone?
The canonical SMILES for [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone is O=C(C1CCC1)N1CCC2(CC1)SCCN2C(=O)C1CCCCC1.
What is the InChIKey of [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone?
The InChIKey is AVJYZZPPMJSHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c22-17(15-7-4-8-15)20-11-9-19(10-12-20)21(13-14-24-19)18(23)16-5-2-1-3-6-16/h15-16H,1-14H2.
What are the key properties of [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone?
[8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone has a molecular weight of 350.53 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclobutanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-cyclohexylmethanone is sourced from PubChem (CID 3544228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).