1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine

C10H21FN2O2S — CID 119984201

IUPAC1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C10H21FN2O2S/c1-9(12)10-4-2-6-13(8-10)16(14,15)7-3-5-11/h9-10H,2-8,12H2,1H3
InChIKeyLHAWUWQEMZZRCH-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.74
Rot. Bonds5

About 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine

1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine (PubChem CID 119984201) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine
PubChem CID119984201
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC Name1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C10H21FN2O2S/c1-9(12)10-4-2-6-13(8-10)16(14,15)7-3-5-11/h9-10H,2-8,12H2,1H3
InChIKeyLHAWUWQEMZZRCH-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine (CID 119984201) is 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine is CC(N)C1CCCN(S(=O)(=O)CCCF)C1.
What is the InChIKey of 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine?
The InChIKey is LHAWUWQEMZZRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-9(12)10-4-2-6-13(8-10)16(14,15)7-3-5-11/h9-10H,2-8,12H2,1H3.
What are the key properties of 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine?
1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine has a molecular weight of 252.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropylsulfonyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 119984201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).