8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone

C14H18BrNOS — CID 63801298

IUPAC8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1sccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H18BrNOS/c15-11-3-10-18-12(11)13(17)16-8-6-14(7-9-16)4-1-2-5-14/h3,10H,1-2,4-9H2
InChIKeyWJPMZDJICAGWCM-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.31
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone

8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone (PubChem CID 63801298) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone
PubChem CID63801298
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC Name8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1sccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H18BrNOS/c15-11-3-10-18-12(11)13(17)16-8-6-14(7-9-16)4-1-2-5-14/h3,10H,1-2,4-9H2
InChIKeyWJPMZDJICAGWCM-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63157037
(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874812
(3-bromothiophen-2-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 130616054
(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115970006
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55226864
(3-bromothiophen-2-yl)-pyrazolidin-1-ylmethanone
CID 130948264
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
(3-bromothiophen-2-yl)-(1-hydroxycyclohexyl)methanone
CID 103449752
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone (CID 63801298) is 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone is O=C(c1sccc1Br)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone?
The InChIKey is WJPMZDJICAGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c15-11-3-10-18-12(11)13(17)16-8-6-14(7-9-16)4-1-2-5-14/h3,10H,1-2,4-9H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone?
8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone has a molecular weight of 328.28 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 63801298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).