4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one

C17H29NO4S — CID 126835299

IUPAC4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCOC2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H29NO4S/c19-16(8-4-7-15-5-2-1-3-6-15)18-10-11-22-17(13-18)9-12-23(20,21)14-17/h15H,1-14H2
InChIKeyNYWILTMOASOMBW-UHFFFAOYSA-N
MW343.49 g/mol
LogP2.15
Rot. Bonds4

About 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one

4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one (PubChem CID 126835299) has the molecular formula C17H29NO4S and a molecular weight of 343.49 g/mol. Its IUPAC name is 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one
PubChem CID126835299
Molecular FormulaC17H29NO4S
Molecular Weight343.49 g/mol
Exact Mass343.18
IUPAC Name4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCOC2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H29NO4S/c19-16(8-4-7-15-5-2-1-3-6-15)18-10-11-22-17(13-18)9-12-23(20,21)14-17/h15H,1-14H2
InChIKeyNYWILTMOASOMBW-UHFFFAOYSA-N
XLogP2.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The IUPAC name of 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one (CID 126835299) is 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one is O=C(CCCC1CCCCC1)N1CCOC2(CCS(=O)(=O)C2)C1.
What is the InChIKey of 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The InChIKey is NYWILTMOASOMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4S/c19-16(8-4-7-15-5-2-1-3-6-15)18-10-11-22-17(13-18)9-12-23(20,21)14-17/h15H,1-14H2.
What are the key properties of 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one?
4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one has a molecular weight of 343.49 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(2,2-dioxo-6-oxa-2λ6-thia-9-azaspiro[4.5]decan-9-yl)butan-1-one is sourced from PubChem (CID 126835299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).