3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine

C7H16FNO2S — CID 81198496

IUPAC3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CCCF
InChIInChI=1S/C7H16FNO2S/c1-7(5-9)6-12(10,11)4-2-3-8/h7H,2-6,9H2,1H3
InChIKeyWAZMAKHDWHOFAS-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.36
Rot. Bonds6

About 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine

3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine (PubChem CID 81198496) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine
PubChem CID81198496
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC Name3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CCCF
InChIInChI=1S/C7H16FNO2S/c1-7(5-9)6-12(10,11)4-2-3-8/h7H,2-6,9H2,1H3
InChIKeyWAZMAKHDWHOFAS-UHFFFAOYSA-N
XLogP0.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine (CID 81198496) is 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)CCCF.
What is the InChIKey of 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is WAZMAKHDWHOFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-7(5-9)6-12(10,11)4-2-3-8/h7H,2-6,9H2,1H3.
What are the key properties of 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine?
3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 197.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81198496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).