3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine

C7H16FNO2S — CID 84667801

IUPAC3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine
SMILESCC(C)(F)CS(=O)(=O)CCCN
InChIInChI=1S/C7H16FNO2S/c1-7(2,8)6-12(10,11)5-3-4-9/h3-6,9H2,1-2H3
InChIKeyKEEMYJOIHXTUIB-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.50
Rot. Bonds5

About 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine

3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine (PubChem CID 84667801) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine
PubChem CID84667801
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC Name3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine
SMILESCC(C)(F)CS(=O)(=O)CCCN
InChIInChI=1S/C7H16FNO2S/c1-7(2,8)6-12(10,11)5-3-4-9/h3-6,9H2,1-2H3
InChIKeyKEEMYJOIHXTUIB-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methylsulfonyl)propan-1-amine
CID 21949286
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
2-(2-Aminoethanesulfonyl)-2-methylpropane hydrochloride
CID 54593087
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
3,3'-Sulfonylbis(1-propanamine)
CID 14585888
2-(2-Aminoethanesulfonyl)-2-methylpropane
CID 43444511
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine (CID 84667801) is 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine is CC(C)(F)CS(=O)(=O)CCCN.
What is the InChIKey of 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine?
The InChIKey is KEEMYJOIHXTUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-7(2,8)6-12(10,11)5-3-4-9/h3-6,9H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine?
3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine has a molecular weight of 197.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methylpropyl)sulfonylpropan-1-amine is sourced from PubChem (CID 84667801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).