1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine

C11H21FN2O2S — CID 126845808

IUPAC1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2(F)CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H21FN2O2S/c12-11(3-7-17(15,16)8-4-11)9-14-5-1-10(13)2-6-14/h10H,1-9,13H2
InChIKeyHUOCPBHWZWDSBR-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.33
Rot. Bonds2

About 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine

1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine (PubChem CID 126845808) has the molecular formula C11H21FN2O2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine
PubChem CID126845808
Molecular FormulaC11H21FN2O2S
Molecular Weight264.37 g/mol
Exact Mass264.13
IUPAC Name1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2(F)CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H21FN2O2S/c12-11(3-7-17(15,16)8-4-11)9-14-5-1-10(13)2-6-14/h10H,1-9,13H2
InChIKeyHUOCPBHWZWDSBR-UHFFFAOYSA-N
XLogP0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine (CID 126845808) is 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine is NC1CCN(CC2(F)CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine?
The InChIKey is HUOCPBHWZWDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2S/c12-11(3-7-17(15,16)8-4-11)9-14-5-1-10(13)2-6-14/h10H,1-9,13H2.
What are the key properties of 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine?
1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 126845808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).