N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide

C14H23FN2O4S — CID 131691633

IUPACN-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESO=C(CCF)N1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1
InChIInChI=1S/C14H23FN2O4S/c15-6-3-13(18)17-7-5-14(10-17)9-11(4-8-21-14)16-22(19,20)12-1-2-12/h11-12,16H,1-10H2/t11-,14-/m1/s1
InChIKeyWCHOZHVSBVWRNK-BXUZGUMPSA-N
MW334.41 g/mol
LogP0.58
Rot. Bonds5

About N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide

N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (PubChem CID 131691633) has the molecular formula C14H23FN2O4S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
PubChem CID131691633
Molecular FormulaC14H23FN2O4S
Molecular Weight334.41 g/mol
Exact Mass334.14
IUPAC NameN-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESO=C(CCF)N1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1
InChIInChI=1S/C14H23FN2O4S/c15-6-3-13(18)17-7-5-14(10-17)9-11(4-8-21-14)16-22(19,20)12-1-2-12/h11-12,16H,1-10H2/t11-,14-/m1/s1
InChIKeyWCHOZHVSBVWRNK-BXUZGUMPSA-N
XLogP0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[9-(1-fluorocyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 131686512
N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155850372
N-[(5R,9S)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97474427
N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97476102
N-[(5R,9S)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97477925
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97485996
N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420146
N-[(5R,9R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420147
N-[(5R,9R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420149
N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
CID 97474901
1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97474925
N-[[(5R,7S)-2-propanoyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475258

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (CID 131691633) is N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is O=C(CCF)N1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1.
What is the InChIKey of N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The InChIKey is WCHOZHVSBVWRNK-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H23FN2O4S/c15-6-3-13(18)17-7-5-14(10-17)9-11(4-8-21-14)16-22(19,20)12-1-2-12/h11-12,16H,1-10H2/t11-,14-/m1/s1.
What are the key properties of N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide has a molecular weight of 334.41 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is sourced from PubChem (CID 131691633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).