4-(fluoromethylsulfonyl)-N-methylbutan-1-amine

C6H14FNO2S — CID 84718784

IUPAC4-(fluoromethylsulfonyl)-N-methylbutan-1-amine
SMILESCNCCCCS(=O)(=O)CF
InChIInChI=1S/C6H14FNO2S/c1-8-4-2-3-5-11(9,10)6-7/h8H,2-6H2,1H3
InChIKeyVXPQCVWAKMHTOA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.33
Rot. Bonds6

About 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine

4-(fluoromethylsulfonyl)-N-methylbutan-1-amine (PubChem CID 84718784) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(fluoromethylsulfonyl)-N-methylbutan-1-amine
PubChem CID84718784
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name4-(fluoromethylsulfonyl)-N-methylbutan-1-amine
SMILESCNCCCCS(=O)(=O)CF
InChIInChI=1S/C6H14FNO2S/c1-8-4-2-3-5-11(9,10)6-7/h8H,2-6H2,1H3
InChIKeyVXPQCVWAKMHTOA-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
3-(Methylsulfonyl)pyrrolidine
CID 3419356
(2-Methanesulfonylethyl)(methyl)amine
CID 3856040
4-Methanesulfonyl-butylamine
CID 191145
(3-Methanesulfonylpropyl)(methyl)amine hydrochloride
CID 137952128
(3-Methanesulfonylpropyl)(methyl)amine
CID 22277805
4,4,4-Trifluoro-3-methylsulfonylbutan-1-amine
CID 64698266
2-fluoro-N-(2-methylsulfonylethyl)ethanamine
CID 79006887
N-Methyl-4-[(3,3,3-trifluoropropyl)sulphonyl]butane-1-amine
CID 86696823
N-methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 86696829
N-Methyl-3-[(4,4,4-trifluorobutyl)sulphonyl]propane-1-amine
CID 86696842

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine?
The IUPAC name of 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine (CID 84718784) is 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine is CNCCCCS(=O)(=O)CF.
What is the InChIKey of 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine?
The InChIKey is VXPQCVWAKMHTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-8-4-2-3-5-11(9,10)6-7/h8H,2-6H2,1H3.
What are the key properties of 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine?
4-(fluoromethylsulfonyl)-N-methylbutan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylsulfonyl)-N-methylbutan-1-amine is sourced from PubChem (CID 84718784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).