N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide

C24H34F3N3O2S — CID 140742783

IUPACN-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide
SMILESCCC1(c2cc(NS(=O)(=O)C3CC3)ccc2F)C2CN(CCCN3CCC(F)(F)CC3)CC21
InChIInChI=1S/C24H34F3N3O2S/c1-2-24(19-14-17(4-7-22(19)25)28-33(31,32)18-5-6-18)20-15-30(16-21(20)24)11-3-10-29-12-8-23(26,27)9-13-29/h4,7,14,18,20-21,28H,2-3,5-6,8-13,15-16H2,1H3
InChIKeyNWGKXLJZXAWIED-UHFFFAOYSA-N
MW485.62 g/mol
LogP4.06
Rot. Bonds9

About N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide

N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide (PubChem CID 140742783) has the molecular formula C24H34F3N3O2S and a molecular weight of 485.62 g/mol. Its IUPAC name is N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide
PubChem CID140742783
Molecular FormulaC24H34F3N3O2S
Molecular Weight485.62 g/mol
Exact Mass485.23
IUPAC NameN-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide
SMILESCCC1(c2cc(NS(=O)(=O)C3CC3)ccc2F)C2CN(CCCN3CCC(F)(F)CC3)CC21
InChIInChI=1S/C24H34F3N3O2S/c1-2-24(19-14-17(4-7-22(19)25)28-33(31,32)18-5-6-18)20-15-30(16-21(20)24)11-3-10-29-12-8-23(26,27)9-13-29/h4,7,14,18,20-21,28H,2-3,5-6,8-13,15-16H2,1H3
InChIKeyNWGKXLJZXAWIED-UHFFFAOYSA-N
XLogP4.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1R,5S)-3-[3-(3,3-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride
CID 122552775
N-[3-[6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide;hydrochloride
CID 140742828
N-[3-[(5S)-3-[3-(4,4-difluorocyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 134360664
N-[3-[3-[3-(1-ethoxy-4,4-difluorocyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 140742796
N-[3-[(1R,5S)-6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 122552741
3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide
CID 144848089
N-[3-(3,6-diethyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
CID 59878281
N-[3-[3-[3-(2-amino-1,3-dihydroinden-2-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 22139935
N-[3-[6-ethyl-3-[2-(2-hydroxy-1,3-dihydroinden-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 22139872
N-[3-[(1R,5S)-3-hexyl-6-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57391421
benzyl 4-[6-ethyl-6-[3-(methanesulfonamido)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoate
CID 59113259
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
CID 119101374

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide (CID 140742783) is N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide is CCC1(c2cc(NS(=O)(=O)C3CC3)ccc2F)C2CN(CCCN3CCC(F)(F)CC3)CC21.
What is the InChIKey of N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide?
The InChIKey is NWGKXLJZXAWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O2S/c1-2-24(19-14-17(4-7-22(19)25)28-33(31,32)18-5-6-18)20-15-30(16-21(20)24)11-3-10-29-12-8-23(26,27)9-13-29/h4,7,14,18,20-21,28H,2-3,5-6,8-13,15-16H2,1H3.
What are the key properties of N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide?
N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide has a molecular weight of 485.62 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(4,4-difluoropiperidin-1-yl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 140742783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).