N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide

C19H27FN2O2S — CID 102554688

IUPACN-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC1CCC2(CC1)CCN(C(=O)NCCS(=O)c1ccccc1F)C2
InChIInChI=1S/C19H27FN2O2S/c1-15-6-8-19(9-7-15)10-12-22(14-19)18(23)21-11-13-25(24)17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3,(H,21,23)
InChIKeyDRKZUHRYQMYRPI-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide

N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 102554688) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID102554688
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC NameN-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC1CCC2(CC1)CCN(C(=O)NCCS(=O)c1ccccc1F)C2
InChIInChI=1S/C19H27FN2O2S/c1-15-6-8-19(9-7-15)10-12-22(14-19)18(23)21-11-13-25(24)17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3,(H,21,23)
InChIKeyDRKZUHRYQMYRPI-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide (CID 102554688) is N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide is CC1CCC2(CC1)CCN(C(=O)NCCS(=O)c1ccccc1F)C2.
What is the InChIKey of N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is DRKZUHRYQMYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c1-15-6-8-19(9-7-15)10-12-22(14-19)18(23)21-11-13-25(24)17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide?
N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 102554688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).