(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C15H25NO5S — CID 97144388

IUPAC(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C15H25NO5S/c17-13-2-1-9-21-15(13)5-7-16(8-6-15)14(18)12-3-10-22(19,20)11-4-12/h12-13,17H,1-11H2/t13-/m0/s1
InChIKeyQLMKFJZNRPNQPL-ZDUSSCGKSA-N
MW331.43 g/mol
LogP0.34
Rot. Bonds1

About (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97144388) has the molecular formula C15H25NO5S and a molecular weight of 331.43 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID97144388
Molecular FormulaC15H25NO5S
Molecular Weight331.43 g/mol
Exact Mass331.15
IUPAC Name(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C15H25NO5S/c17-13-2-1-9-21-15(13)5-7-16(8-6-15)14(18)12-3-10-22(19,20)11-4-12/h12-13,17H,1-11H2/t13-/m0/s1
InChIKeyQLMKFJZNRPNQPL-ZDUSSCGKSA-N
XLogP0.34
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124940455
(4,4-difluorocyclohexyl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159642
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
2,3-dihydro-1H-inden-2-yl-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126430965
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366
N-cyclopentyl-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 72870415
1-[4-(1,1-dioxothiane-4-carbonyl)piperazin-1-yl]ethanone
CID 110850378
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
1-oxaspiro[5.5]undecan-11-ol
CID 69392634
2-(2-chloro-6-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72884255
2-(2-chloro-6-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97197491

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 97144388) is (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(C1CCS(=O)(=O)CC1)N1CCC2(CC1)OCCC[C@@H]2O.
What is the InChIKey of (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is QLMKFJZNRPNQPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO5S/c17-13-2-1-9-21-15(13)5-7-16(8-6-15)14(18)12-3-10-22(19,20)11-4-12/h12-13,17H,1-11H2/t13-/m0/s1.
What are the key properties of (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 331.43 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97144388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).