1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine

C11H21FN2O2S — CID 115049252

IUPAC1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine
SMILESNC1(CF)CCCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21FN2O2S/c12-8-11(13)4-1-5-14(9-11)10-2-6-17(15,16)7-3-10/h10H,1-9,13H2
InChIKeyLJWOJQPRNMEOLV-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.33
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine

1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine (PubChem CID 115049252) has the molecular formula C11H21FN2O2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine
PubChem CID115049252
Molecular FormulaC11H21FN2O2S
Molecular Weight264.37 g/mol
Exact Mass264.13
IUPAC Name1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine
SMILESNC1(CF)CCCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21FN2O2S/c12-8-11(13)4-1-5-14(9-11)10-2-6-17(15,16)7-3-10/h10H,1-9,13H2
InChIKeyLJWOJQPRNMEOLV-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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Related Compounds

4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
[1,1-Dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 61562893
1,1-Dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 62692740
[1,1-Dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 63924816
N-[(4-fluoropiperidin-4-yl)methyl]-1,1-dioxothian-3-amine
CID 105515164
N-[(4-fluoropiperidin-4-yl)methyl]-1,1-dioxothian-4-amine
CID 105515165
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothian-3-amine
CID 105515166
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothian-4-amine
CID 105515167
3-(Fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115039143
1-(1,1-Dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine
CID 115046718

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine (CID 115049252) is 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine is NC1(CF)CCCN(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine?
The InChIKey is LJWOJQPRNMEOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2S/c12-8-11(13)4-1-5-14(9-11)10-2-6-17(15,16)7-3-10/h10H,1-9,13H2.
What are the key properties of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine?
1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-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-(1,1-dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine is sourced from PubChem (CID 115049252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).