N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide

C14H20FN3O2S — CID 105364190

IUPACN-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCN3CCC2C3)ccc1F
InChIInChI=1S/C14H20FN3O2S/c1-21(19,20)17-14-8-11(2-3-12(14)15)16-13-5-7-18-6-4-10(13)9-18/h2-3,8,10,13,16-17H,4-7,9H2,1H3
InChIKeyYWIHBMWGGPDETF-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.70
Rot. Bonds4

About N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide

N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide (PubChem CID 105364190) has the molecular formula C14H20FN3O2S and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide
PubChem CID105364190
Molecular FormulaC14H20FN3O2S
Molecular Weight313.40 g/mol
Exact Mass313.13
IUPAC NameN-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCN3CCC2C3)ccc1F
InChIInChI=1S/C14H20FN3O2S/c1-21(19,20)17-14-8-11(2-3-12(14)15)16-13-5-7-18-6-4-10(13)9-18/h2-3,8,10,13,16-17H,4-7,9H2,1H3
InChIKeyYWIHBMWGGPDETF-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide (CID 105364190) is N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NC2CCN3CCC2C3)ccc1F.
What is the InChIKey of N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide?
The InChIKey is YWIHBMWGGPDETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2S/c1-21(19,20)17-14-8-11(2-3-12(14)15)16-13-5-7-18-6-4-10(13)9-18/h2-3,8,10,13,16-17H,4-7,9H2,1H3.
What are the key properties of N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide?
N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 105364190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).