N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide

C15H21FN4O3S — CID 131643081

IUPACN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1
InChIInChI=1S/C15H21FN4O3S/c16-12-6-17-14(18-7-12)20-9-15(10-20)4-3-11(8-23-15)5-19-24(21,22)13-1-2-13/h6-7,11,13,19H,1-5,8-10H2
InChIKeySBHMIANHFMOSGU-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.68
Rot. Bonds5

About N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide

N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 131643081) has the molecular formula C15H21FN4O3S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
PubChem CID131643081
Molecular FormulaC15H21FN4O3S
Molecular Weight356.42 g/mol
Exact Mass356.13
IUPAC NameN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1
InChIInChI=1S/C15H21FN4O3S/c16-12-6-17-14(18-7-12)20-9-15(10-20)4-3-11(8-23-15)5-19-24(21,22)13-1-2-13/h6-7,11,13,19H,1-5,8-10H2
InChIKeySBHMIANHFMOSGU-UHFFFAOYSA-N
XLogP0.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

4-Cyclopropylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131650300
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-(propan-2-yloxymethyl)piperidine-3-sulfonamide
CID 163637883
N-[(5R,9S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]ethanesulfonamide
CID 97474220
N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474854
N-[[(5R,7S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475062
N-[(5R,9R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]ethanesulfonamide
CID 97475590
N-[(5R,9R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97476276
N-[(5R,9S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97476667
(3R,5R)-9-cyclopropylsulfonyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97489485
(3S,5R)-9-cyclopropylsulfonyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97489486
(3R,5S)-9-cyclopropylsulfonyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97489487
(3S,5S)-9-cyclopropylsulfonyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97489488

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide (CID 131643081) is N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1.
What is the InChIKey of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is SBHMIANHFMOSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O3S/c16-12-6-17-14(18-7-12)20-9-15(10-20)4-3-11(8-23-15)5-19-24(21,22)13-1-2-13/h6-7,11,13,19H,1-5,8-10H2.
What are the key properties of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 131643081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).