(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

C15H25NO4S — CID 122134875

IUPAC(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCS(=O)(=O)C1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25NO4S/c17-14(13-5-4-10-21(18,19)11-13)16-8-9-20-15(12-16)6-2-1-3-7-15/h13H,1-12H2
InChIKeyPUXAIEJWUZZKHJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.37
Rot. Bonds1

About (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (PubChem CID 122134875) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
PubChem CID122134875
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCS(=O)(=O)C1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25NO4S/c17-14(13-5-4-10-21(18,19)11-13)16-8-9-20-15(12-16)6-2-1-3-7-15/h13H,1-12H2
InChIKeyPUXAIEJWUZZKHJ-UHFFFAOYSA-N
XLogP1.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
(4,4-difluorocyclohexyl)-(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114590
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232339
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232340
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
CID 122134891
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
CID 127875131
1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
CID 99838429
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134889
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (CID 122134875) is (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is O=C(C1CCCS(=O)(=O)C1)N1CCOC2(CCCCC2)C1.
What is the InChIKey of (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is PUXAIEJWUZZKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c17-14(13-5-4-10-21(18,19)11-13)16-8-9-20-15(12-16)6-2-1-3-7-15/h13H,1-12H2.
What are the key properties of (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 122134875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).