N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide

C14H21FN2O3S — CID 63246552

IUPACN-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCN(c1cccc(F)c1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21FN2O3S/c15-12-4-1-5-13(10-12)17(8-3-7-16)21(18,19)11-14-6-2-9-20-14/h1,4-5,10,14H,2-3,6-9,11,16H2
InChIKeyXFUAHZZCURZRLC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.49
Rot. Bonds7

About N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246552) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246552
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCCCN(c1cccc(F)c1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21FN2O3S/c15-12-4-1-5-13(10-12)17(8-3-7-16)21(18,19)11-14-6-2-9-20-14/h1,4-5,10,14H,2-3,6-9,11,16H2
InChIKeyXFUAHZZCURZRLC-UHFFFAOYSA-N
XLogP1.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)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-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246552) is N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide is NCCCN(c1cccc(F)c1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XFUAHZZCURZRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c15-12-4-1-5-13(10-12)17(8-3-7-16)21(18,19)11-14-6-2-9-20-14/h1,4-5,10,14H,2-3,6-9,11,16H2.
What are the key properties of N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-fluorophenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).