1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone

C13H17NO3S — CID 71785102

IUPAC1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C13H17NO3S/c15-12(11-2-9-18-10-11)14-5-3-13(4-6-14)16-7-1-8-17-13/h2,9-10H,1,3-8H2
InChIKeySUPZQPFUPCQJIQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.12
Rot. Bonds1

About 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone (PubChem CID 71785102) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
PubChem CID71785102
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C13H17NO3S/c15-12(11-2-9-18-10-11)14-5-3-13(4-6-14)16-7-1-8-17-13/h2,9-10H,1,3-8H2
InChIKeySUPZQPFUPCQJIQ-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 90510436
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-nitrophenyl)methanone
CID 90510429
[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-thiophen-3-ylmethanone
CID 99972021
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
1-[3-[4-(thiophene-3-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]ethanone
CID 137337558
[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 64891958
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone?
The IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone (CID 71785102) is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone?
The canonical SMILES for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone?
The InChIKey is SUPZQPFUPCQJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(11-2-9-18-10-11)14-5-3-13(4-6-14)16-7-1-8-17-13/h2,9-10H,1,3-8H2.
What are the key properties of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone?
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 71785102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).