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

C7H16FNOS — CID 81188432

IUPAC1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)CCCF
InChIInChI=1S/C7H16FNOS/c1-7(2,9)6-11(10)5-3-4-8/h3-6,9H2,1-2H3
InChIKeyNVLITSPBDRPPMT-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.83
Rot. Bonds5

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

1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine (PubChem CID 81188432) has the molecular formula C7H16FNOS and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine
PubChem CID81188432
Molecular FormulaC7H16FNOS
Molecular Weight181.28 g/mol
Exact Mass181.09
IUPAC Name1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)CCCF
InChIInChI=1S/C7H16FNOS/c1-7(2,9)6-11(10)5-3-4-8/h3-6,9H2,1-2H3
InChIKeyNVLITSPBDRPPMT-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine (CID 81188432) is 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine is CC(C)(N)CS(=O)CCCF.
What is the InChIKey of 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine?
The InChIKey is NVLITSPBDRPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNOS/c1-7(2,9)6-11(10)5-3-4-8/h3-6,9H2,1-2H3.
What are the key properties of 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine?
1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfinyl)-2-methylpropan-2-amine is sourced from PubChem (CID 81188432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).