cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone

C19H24N2O3S — CID 3986308

IUPACcyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1cccc(C(=O)N2CCSC23CCN(C(=O)C2CC2)CC3)c1
InChIInChI=1S/C19H24N2O3S/c1-24-16-4-2-3-15(13-16)18(23)21-11-12-25-19(21)7-9-20(10-8-19)17(22)14-5-6-14/h2-4,13-14H,5-12H2,1H3
InChIKeyRHGGJVSGSXMRAS-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.61
Rot. Bonds3

About cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone

cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 3986308) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID3986308
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Namecyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1cccc(C(=O)N2CCSC23CCN(C(=O)C2CC2)CC3)c1
InChIInChI=1S/C19H24N2O3S/c1-24-16-4-2-3-15(13-16)18(23)21-11-12-25-19(21)7-9-20(10-8-19)17(22)14-5-6-14/h2-4,13-14H,5-12H2,1H3
InChIKeyRHGGJVSGSXMRAS-UHFFFAOYSA-N
XLogP2.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 4545050
(3-methoxyphenyl)-[8-(naphthalene-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4004562
[4-(3-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-cyclobutylmethanone
CID 4663554
cyclohexyl-[4-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 42773585
N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4552754
(3-chlorophenyl)-[8-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 3529522
[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-naphthalen-2-ylmethanone
CID 4024837
[8-(2-chloro-4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(3-methoxyphenyl)methanone
CID 42773603
1-[8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylpropan-1-one
CID 3896278
[8-(2,4-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone
CID 4590316
8-(cyclopropanecarbonyl)-2-(3-methoxybenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70729245
1-[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 4619002

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (CID 3986308) is cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone is COc1cccc(C(=O)N2CCSC23CCN(C(=O)C2CC2)CC3)c1.
What is the InChIKey of cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is RHGGJVSGSXMRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-16-4-2-3-15(13-16)18(23)21-11-12-25-19(21)7-9-20(10-8-19)17(22)14-5-6-14/h2-4,13-14H,5-12H2,1H3.
What are the key properties of cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 360.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 3986308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).