N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide

C11H17FN2O2S — CID 103611752

IUPACN-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1ccccc1F
InChIInChI=1S/C11H17FN2O2S/c1-17(15,16)14-8-4-7-13-9-10-5-2-3-6-11(10)12/h2-3,5-6,13-14H,4,7-9H2,1H3
InChIKeyVYMXLMMLHGWCNT-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.85
Rot. Bonds7

About N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide

N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide (PubChem CID 103611752) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
PubChem CID103611752
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1ccccc1F
InChIInChI=1S/C11H17FN2O2S/c1-17(15,16)14-8-4-7-13-9-10-5-2-3-6-11(10)12/h2-3,5-6,13-14H,4,7-9H2,1H3
InChIKeyVYMXLMMLHGWCNT-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43658842
N-[3-[(2-cyanophenyl)methylamino]propyl]methanesulfonamide
CID 103616089
N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611732
N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
CID 103739279
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
4-fluoro-3-[[3-(methanesulfonamido)propylamino]methyl]benzamide
CID 106336500
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N'-hydroxy-2-[[3-(methanesulfonamido)propylamino]methyl]benzenecarboximidamide
CID 106339634
N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
CID 103643821

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide (CID 103611752) is N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is VYMXLMMLHGWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-17(15,16)14-8-4-7-13-9-10-5-2-3-6-11(10)12/h2-3,5-6,13-14H,4,7-9H2,1H3.
What are the key properties of N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide?
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103611752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).