N-[3-(3-fluoropropylamino)propyl]methanesulfonamide

C7H17FN2O2S — CID 106336308

IUPACN-[3-(3-fluoropropylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCF
InChIInChI=1S/C7H17FN2O2S/c1-13(11,12)10-7-3-6-9-5-2-4-8/h9-10H,2-7H2,1H3
InChIKeyDFEDMUPOPPRVGU-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.13
Rot. Bonds8

About N-[3-(3-fluoropropylamino)propyl]methanesulfonamide

N-[3-(3-fluoropropylamino)propyl]methanesulfonamide (PubChem CID 106336308) has the molecular formula C7H17FN2O2S and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[3-(3-fluoropropylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluoropropylamino)propyl]methanesulfonamide
PubChem CID106336308
Molecular FormulaC7H17FN2O2S
Molecular Weight212.29 g/mol
Exact Mass212.10
IUPAC NameN-[3-(3-fluoropropylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCCF
InChIInChI=1S/C7H17FN2O2S/c1-13(11,12)10-7-3-6-9-5-2-4-8/h9-10H,2-7H2,1H3
InChIKeyDFEDMUPOPPRVGU-UHFFFAOYSA-N
XLogP-0.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.13
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

N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
N-[3-(2,2-dimethylpropylamino)propyl]methanesulfonamide
CID 53584383
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
N-methylpropan-1-amine;trifluoromethanesulfonamide
CID 175343597
N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 28606505
N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 43136918
N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 43136941
N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 43136966
1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43602829
N-[3-(ethylamino)propyl]-1,1-difluoromethanesulfonamide
CID 43606507

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoropropylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3-fluoropropylamino)propyl]methanesulfonamide (CID 106336308) is N-[3-(3-fluoropropylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-fluoropropylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-fluoropropylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNCCCF.
What is the InChIKey of N-[3-(3-fluoropropylamino)propyl]methanesulfonamide?
The InChIKey is DFEDMUPOPPRVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2O2S/c1-13(11,12)10-7-3-6-9-5-2-4-8/h9-10H,2-7H2,1H3.
What are the key properties of N-[3-(3-fluoropropylamino)propyl]methanesulfonamide?
N-[3-(3-fluoropropylamino)propyl]methanesulfonamide has a molecular weight of 212.29 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoropropylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).