2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

C14H21FN4O2S — CID 118739087

IUPAC2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C14H21FN4O2S/c1-2-22(20,21)19-7-5-14(11-19)4-3-6-18(10-14)13-16-8-12(15)9-17-13/h8-9H,2-7,10-11H2,1H3
InChIKeyFKOVNESPHONPLB-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.26
Rot. Bonds3

About 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 118739087) has the molecular formula C14H21FN4O2S and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID118739087
Molecular FormulaC14H21FN4O2S
Molecular Weight328.41 g/mol
Exact Mass328.14
IUPAC Name2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C14H21FN4O2S/c1-2-22(20,21)19-7-5-14(11-19)4-3-6-18(10-14)13-16-8-12(15)9-17-13/h8-9H,2-7,10-11H2,1H3
InChIKeyFKOVNESPHONPLB-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 118739087) is 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is FKOVNESPHONPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2S/c1-2-22(20,21)19-7-5-14(11-19)4-3-6-18(10-14)13-16-8-12(15)9-17-13/h8-9H,2-7,10-11H2,1H3.
What are the key properties of 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 328.41 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).