3-(3-fluoropropylsulfonyl)propan-1-amine

C6H14FNO2S — CID 58684153

IUPAC3-(3-fluoropropylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCCF
InChIInChI=1S/C6H14FNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1-6,8H2
InChIKeyGJFFNIZOMCXCJB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds6

About 3-(3-fluoropropylsulfonyl)propan-1-amine

3-(3-fluoropropylsulfonyl)propan-1-amine (PubChem CID 58684153) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfonyl)propan-1-amine
PubChem CID58684153
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name3-(3-fluoropropylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCCF
InChIInChI=1S/C6H14FNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1-6,8H2
InChIKeyGJFFNIZOMCXCJB-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfonyl)propan-1-amine?
The IUPAC name of 3-(3-fluoropropylsulfonyl)propan-1-amine (CID 58684153) is 3-(3-fluoropropylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(3-fluoropropylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(3-fluoropropylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CCCF.
What is the InChIKey of 3-(3-fluoropropylsulfonyl)propan-1-amine?
The InChIKey is GJFFNIZOMCXCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1-6,8H2.
What are the key properties of 3-(3-fluoropropylsulfonyl)propan-1-amine?
3-(3-fluoropropylsulfonyl)propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).