cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone

C18H24N2O2S2 — CID 5022310

IUPACcyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC2(CC1)SCCN2C(=O)C1CCCC1
InChIInChI=1S/C18H24N2O2S2/c21-16(14-4-1-2-5-14)20-11-13-24-18(20)7-9-19(10-8-18)17(22)15-6-3-12-23-15/h3,6,12,14H,1-2,4-5,7-11,13H2
InChIKeyHUBGNMZIXZLTMJ-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.45
Rot. Bonds2

About cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone

cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone (PubChem CID 5022310) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
PubChem CID5022310
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Namecyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC2(CC1)SCCN2C(=O)C1CCCC1
InChIInChI=1S/C18H24N2O2S2/c21-16(14-4-1-2-5-14)20-11-13-24-18(20)7-9-19(10-8-18)17(22)15-6-3-12-23-15/h3,6,12,14H,1-2,4-5,7-11,13H2
InChIKeyHUBGNMZIXZLTMJ-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4312387
cyclopentyl-[8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 5218160
1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-en-1-one
CID 4031387
[8-[3,5-bis(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-thiophen-2-ylmethanone
CID 4260414
1-[4-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]nonan-1-one
CID 5020903
cyclohexyl-[4-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 42773585
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 8732831
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-[4-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]hexan-1-one
CID 3914002
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone?
The IUPAC name of cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone (CID 5022310) is cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone is O=C(c1cccs1)N1CCC2(CC1)SCCN2C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone?
The InChIKey is HUBGNMZIXZLTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c21-16(14-4-1-2-5-14)20-11-13-24-18(20)7-9-19(10-8-18)17(22)15-6-3-12-23-15/h3,6,12,14H,1-2,4-5,7-11,13H2.
What are the key properties of cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone?
cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone has a molecular weight of 364.54 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[8-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone is sourced from PubChem (CID 5022310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).