8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C18H27FN2O3S — CID 91922107

IUPAC8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H27FN2O3S/c1-20-11-16(12-24-2)18(14-20)7-9-21(10-8-18)25(22,23)13-15-3-5-17(19)6-4-15/h3-6,16H,7-14H2,1-2H3
InChIKeyNBBUVGUEPMJFIH-UHFFFAOYSA-N
MW370.49 g/mol
LogP1.95
Rot. Bonds5

About 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922107) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91922107
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H27FN2O3S/c1-20-11-16(12-24-2)18(14-20)7-9-21(10-8-18)25(22,23)13-15-3-5-17(19)6-4-15/h3-6,16H,7-14H2,1-2H3
InChIKeyNBBUVGUEPMJFIH-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91922107) is 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(S(=O)(=O)Cc1ccc(F)cc1)CC2.
What is the InChIKey of 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is NBBUVGUEPMJFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c1-20-11-16(12-24-2)18(14-20)7-9-21(10-8-18)25(22,23)13-15-3-5-17(19)6-4-15/h3-6,16H,7-14H2,1-2H3.
What are the key properties of 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 370.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).