N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine

C15H23FN2O2S — CID 79179429

IUPACN-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC(C)C)cc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-11(2)17-9-13-4-5-15(14(16)8-13)21(19,20)18-7-6-12(3)10-18/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyWVFURVKGCFYGHW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.35
Rot. Bonds5

About N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine

N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine (PubChem CID 79179429) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
PubChem CID79179429
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC(C)C)cc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-11(2)17-9-13-4-5-15(14(16)8-13)21(19,20)18-7-6-12(3)10-18/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyWVFURVKGCFYGHW-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-3-fluorophenyl]methyl]propan-2-amine
CID 114414036
1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 102704312
N-[(3,4-difluoro-5-pyrrolidin-1-ylsulfonylphenyl)methyl]propan-2-amine
CID 105118558
3-fluoro-4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 79187207
N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453780
2-fluoro-4-[(propan-2-ylamino)methyl]-N-propylbenzenesulfonamide
CID 79189875
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
2,6-difluoro-3-(3-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 61227010
1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
CID 79187601
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
2-[4-(chloromethyl)-2-fluorophenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115562788
3,4-difluoro-5-(3-methylpyrrolidin-1-yl)sulfonylaniline
CID 65020777

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine (CID 79179429) is N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine is CC1CCN(S(=O)(=O)c2ccc(CNC(C)C)cc2F)C1.
What is the InChIKey of N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
The InChIKey is WVFURVKGCFYGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11(2)17-9-13-4-5-15(14(16)8-13)21(19,20)18-7-6-12(3)10-18/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine has a molecular weight of 314.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 79179429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).