4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane

C15H23FN4O3S — CID 97451028

IUPAC4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H23FN4O3S/c1-2-9-24(21,22)20-5-3-15(4-6-20)12-19(7-8-23-15)14-17-10-13(16)11-18-14/h10-11H,2-9,12H2,1H3
InChIKeyLHINMKLJPSMIAW-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.03
Rot. Bonds4

About 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane

4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97451028) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97451028
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H23FN4O3S/c1-2-9-24(21,22)20-5-3-15(4-6-20)12-19(7-8-23-15)14-17-10-13(16)11-18-14/h10-11H,2-9,12H2,1H3
InChIKeyLHINMKLJPSMIAW-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739085
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
4-Ethylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739113
4-Cyclopropylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131650300
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
(+/-)-1-[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]ethyl methanesulfonate
CID 86638748
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701506
(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701546
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701694
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701850
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122702007
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122702424

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97451028) is 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane is CCCS(=O)(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is LHINMKLJPSMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-2-9-24(21,22)20-5-3-15(4-6-20)12-19(7-8-23-15)14-17-10-13(16)11-18-14/h10-11H,2-9,12H2,1H3.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 358.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-9-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97451028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).