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

C14H17FN2O4S — CID 110668888

IUPAC8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C14H17FN2O4S/c15-12-3-1-11(2-4-12)9-22(19,20)17-7-5-14(6-8-17)10-16-13(18)21-14/h1-4H,5-10H2,(H,16,18)
InChIKeySNGTUTXZXQQXDU-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.23
Rot. Bonds3

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

8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 110668888) has the molecular formula C14H17FN2O4S and a molecular weight of 328.36 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID110668888
Molecular FormulaC14H17FN2O4S
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C14H17FN2O4S/c15-12-3-1-11(2-4-12)9-22(19,20)17-7-5-14(6-8-17)10-16-13(18)21-14/h1-4H,5-10H2,(H,16,18)
InChIKeySNGTUTXZXQQXDU-UHFFFAOYSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 110668888) is 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SNGTUTXZXQQXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c15-12-3-1-11(2-4-12)9-22(19,20)17-7-5-14(6-8-17)10-16-13(18)21-14/h1-4H,5-10H2,(H,16,18).
What are the key properties of 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 328.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 110668888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).