3-(3-fluoropropylsulfinyl)butan-1-amine

C7H16FNOS — CID 81194065

IUPAC3-(3-fluoropropylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)CCCF
InChIInChI=1S/C7H16FNOS/c1-7(3-5-9)11(10)6-2-4-8/h7H,2-6,9H2,1H3
InChIKeyOBBVENSKSDYTEP-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.83
Rot. Bonds6

About 3-(3-fluoropropylsulfinyl)butan-1-amine

3-(3-fluoropropylsulfinyl)butan-1-amine (PubChem CID 81194065) has the molecular formula C7H16FNOS and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfinyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfinyl)butan-1-amine
PubChem CID81194065
Molecular FormulaC7H16FNOS
Molecular Weight181.28 g/mol
Exact Mass181.09
IUPAC Name3-(3-fluoropropylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)CCCF
InChIInChI=1S/C7H16FNOS/c1-7(3-5-9)11(10)6-2-4-8/h7H,2-6,9H2,1H3
InChIKeyOBBVENSKSDYTEP-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluoropropylsulfinyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfinyl)butan-1-amine?
The IUPAC name of 3-(3-fluoropropylsulfinyl)butan-1-amine (CID 81194065) is 3-(3-fluoropropylsulfinyl)butan-1-amine.
What is the SMILES notation for 3-(3-fluoropropylsulfinyl)butan-1-amine?
The canonical SMILES for 3-(3-fluoropropylsulfinyl)butan-1-amine is CC(CCN)S(=O)CCCF.
What is the InChIKey of 3-(3-fluoropropylsulfinyl)butan-1-amine?
The InChIKey is OBBVENSKSDYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNOS/c1-7(3-5-9)11(10)6-2-4-8/h7H,2-6,9H2,1H3.
What are the key properties of 3-(3-fluoropropylsulfinyl)butan-1-amine?
3-(3-fluoropropylsulfinyl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfinyl)butan-1-amine is sourced from PubChem (CID 81194065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).