N-(3-fluoropropyl)methanesulfonamide

C4H10FNO2S — CID 130163193

IUPACN-(3-fluoropropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCF
InChIInChI=1S/C4H10FNO2S/c1-9(7,8)6-4-2-3-5/h6H,2-4H2,1H3
InChIKeyMZSSNPDWYWYVNM-UHFFFAOYSA-N
MW155.19 g/mol
LogP-0.10
Rot. Bonds4

About N-(3-fluoropropyl)methanesulfonamide

N-(3-fluoropropyl)methanesulfonamide (PubChem CID 130163193) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is N-(3-fluoropropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)methanesulfonamide
PubChem CID130163193
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC NameN-(3-fluoropropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCF
InChIInChI=1S/C4H10FNO2S/c1-9(7,8)6-4-2-3-5/h6H,2-4H2,1H3
InChIKeyMZSSNPDWYWYVNM-UHFFFAOYSA-N
XLogP-0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(propan-2-yl)methanesulfonamide
CID 312702
N-Ethylmethanesulfonamide
CID 5136276
N-propylmethanesulfonamide
CID 235967
N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
N-(2-methylpropyl)methanesulfonamide
CID 4547916
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
Butan-1-aminium methanesulfonate
CID 88442144
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
N-(2-fluoropropyl)methanesulfonamide
CID 18686378

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)methanesulfonamide?
The IUPAC name of N-(3-fluoropropyl)methanesulfonamide (CID 130163193) is N-(3-fluoropropyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluoropropyl)methanesulfonamide?
The canonical SMILES for N-(3-fluoropropyl)methanesulfonamide is CS(=O)(=O)NCCCF.
What is the InChIKey of N-(3-fluoropropyl)methanesulfonamide?
The InChIKey is MZSSNPDWYWYVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c1-9(7,8)6-4-2-3-5/h6H,2-4H2,1H3.
What are the key properties of N-(3-fluoropropyl)methanesulfonamide?
N-(3-fluoropropyl)methanesulfonamide has a molecular weight of 155.19 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)methanesulfonamide is sourced from PubChem (CID 130163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).