8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H23N3O5S — CID 110668818

IUPAC8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CNC(=O)O3)CC1
InChIInChI=1S/C14H23N3O5S/c1-23(20,21)17-6-2-11(3-7-17)12(18)16-8-4-14(5-9-16)10-15-13(19)22-14/h11H,2-10H2,1H3,(H,15,19)
InChIKeyZWSAWMQPOMRNJQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP-0.24
Rot. Bonds2

About 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 110668818) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID110668818
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Name8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CNC(=O)O3)CC1
InChIInChI=1S/C14H23N3O5S/c1-23(20,21)17-6-2-11(3-7-17)12(18)16-8-4-14(5-9-16)10-15-13(19)22-14/h11H,2-10H2,1H3,(H,15,19)
InChIKeyZWSAWMQPOMRNJQ-UHFFFAOYSA-N
XLogP-0.24
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 62045564
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
CID 35795581
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 160908766
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110290644
8-[2-(2-methylphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668836
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725414
8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267
3-methyl-4-(1-methylsulfonylpiperidine-4-carbonyl)piperazine-2,6-dione
CID 66060961

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 110668818) is 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CNC(=O)O3)CC1.
What is the InChIKey of 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZWSAWMQPOMRNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-23(20,21)17-6-2-11(3-7-17)12(18)16-8-4-14(5-9-16)10-15-13(19)22-14/h11H,2-10H2,1H3,(H,15,19).
What are the key properties of 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 345.42 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 110668818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).