7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

C17H24FN3O3S — CID 45175774

IUPAC7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C17H24FN3O3S/c1-19(2)25(23,24)21-11-9-17(13-21)8-3-10-20(16(17)22)12-14-4-6-15(18)7-5-14/h4-7H,3,8-13H2,1-2H3
InChIKeyUNOVSNMPNYHQNU-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.45
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (PubChem CID 45175774) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
PubChem CID45175774
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C17H24FN3O3S/c1-19(2)25(23,24)21-11-9-17(13-21)8-3-10-20(16(17)22)12-14-4-6-15(18)7-5-14/h4-7H,3,8-13H2,1-2H3
InChIKeyUNOVSNMPNYHQNU-UHFFFAOYSA-N
XLogP1.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (CID 45175774) is 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The InChIKey is UNOVSNMPNYHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-19(2)25(23,24)21-11-9-17(13-21)8-3-10-20(16(17)22)12-14-4-6-15(18)7-5-14/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 45175774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).