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

C7H16FNOS — CID 81201575

IUPAC3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)CCCF
InChIInChI=1S/C7H16FNOS/c1-7(5-9)6-11(10)4-2-3-8/h7H,2-6,9H2,1H3
InChIKeyGNTVAYFXTZMOSV-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.69
Rot. Bonds6

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

3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine (PubChem CID 81201575) has the molecular formula C7H16FNOS and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine
PubChem CID81201575
Molecular FormulaC7H16FNOS
Molecular Weight181.28 g/mol
Exact Mass181.09
IUPAC Name3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)CCCF
InChIInChI=1S/C7H16FNOS/c1-7(5-9)6-11(10)4-2-3-8/h7H,2-6,9H2,1H3
InChIKeyGNTVAYFXTZMOSV-UHFFFAOYSA-N
XLogP0.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine (CID 81201575) is 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine is CC(CN)CS(=O)CCCF.
What is the InChIKey of 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine?
The InChIKey is GNTVAYFXTZMOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNOS/c1-7(5-9)6-11(10)4-2-3-8/h7H,2-6,9H2,1H3.
What are the key properties of 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine?
3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81201575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).