N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride

C12H20ClF2N3O3S — CID 175925500

IUPACN-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(F)CC1)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C12H19F2N3O3S.ClH/c13-8-21(19,20)16-9-5-17(7-11(9)1-2-11)10(18)15-6-12(14)3-4-12;/h9,16H,1-8H2,(H,15,18);1H
InChIKeyKDYNVXLFJPAKBJ-UHFFFAOYSA-N
MW359.83 g/mol
LogP0.93
Rot. Bonds5

About N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride

N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride (PubChem CID 175925500) has the molecular formula C12H20ClF2N3O3S and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride
PubChem CID175925500
Molecular FormulaC12H20ClF2N3O3S
Molecular Weight359.83 g/mol
Exact Mass359.09
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(F)CC1)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C12H19F2N3O3S.ClH/c13-8-21(19,20)16-9-5-17(7-11(9)1-2-11)10(18)15-6-12(14)3-4-12;/h9,16H,1-8H2,(H,15,18);1H
InChIKeyKDYNVXLFJPAKBJ-UHFFFAOYSA-N
XLogP0.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036637
2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036644
2-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036746
7-(Fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169772902
(7S)-N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 170194154
(7S)-7-(difluoromethylsulfonylamino)-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170194159
N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 175925501
7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 175932948
N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 175932965
7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 175933003

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride (CID 175925500) is N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride is Cl.O=C(NCC1(F)CC1)N1CC(NS(=O)(=O)CF)C2(CC2)C1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride?
The InChIKey is KDYNVXLFJPAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O3S.ClH/c13-8-21(19,20)16-9-5-17(7-11(9)1-2-11)10(18)15-6-12(14)3-4-12;/h9,16H,1-8H2,(H,15,18);1H.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride?
N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride has a molecular weight of 359.83 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide;hydrochloride is sourced from PubChem (CID 175925500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).