N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide

C14H21FN2O3S — CID 131687072

IUPACN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
SMILESO=C(N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1)C1(F)CC1
InChIInChI=1S/C14H21FN2O3S/c15-14(3-4-14)12(18)17-6-5-13(9-17)7-10(8-13)16-21(19,20)11-1-2-11/h10-11,16H,1-9H2
InChIKeyIWQYOALWVQLGGB-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.95
Rot. Bonds4

About N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide

N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide (PubChem CID 131687072) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
PubChem CID131687072
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
SMILESO=C(N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1)C1(F)CC1
InChIInChI=1S/C14H21FN2O3S/c15-14(3-4-14)12(18)17-6-5-13(9-17)7-10(8-13)16-21(19,20)11-1-2-11/h10-11,16H,1-9H2
InChIKeyIWQYOALWVQLGGB-UHFFFAOYSA-N
XLogP0.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686166
N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
CID 131686616
N-[(5R,9R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420149
N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896234
N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 131691633
N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
CID 98894598
N-[7-(2-fluorobenzoyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897636
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476
tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate
CID 166150816
N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686063
ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 170766986
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide (CID 131687072) is N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide is O=C(N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1)C1(F)CC1.
What is the InChIKey of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The InChIKey is IWQYOALWVQLGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c15-14(3-4-14)12(18)17-6-5-13(9-17)7-10(8-13)16-21(19,20)11-1-2-11/h10-11,16H,1-9H2.
What are the key properties of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 131687072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).