N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide

C6H12FNO2S — CID 130421768

IUPACN-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CF)CC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5H2,1H3
InChIKeyPAJXLZSHCWIXQF-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.29
Rot. Bonds4

About N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide

N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide (PubChem CID 130421768) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide
PubChem CID130421768
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC NameN-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CF)CC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5H2,1H3
InChIKeyPAJXLZSHCWIXQF-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide (CID 130421768) is N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CF)CC1.
What is the InChIKey of N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide?
The InChIKey is PAJXLZSHCWIXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5H2,1H3.
What are the key properties of N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide?
N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide has a molecular weight of 181.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 130421768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).