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

C11H20F2N2O2S — CID 115051910

IUPAC3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine
SMILESNC1(C(F)F)CCCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20F2N2O2S/c12-10(13)11(14)4-1-5-15(8-11)9-2-6-18(16,17)7-3-9/h9-10H,1-8,14H2
InChIKeyNPICXKMUMYVKGC-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.62
Rot. Bonds2

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

3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine (PubChem CID 115051910) has the molecular formula C11H20F2N2O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine
PubChem CID115051910
Molecular FormulaC11H20F2N2O2S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Name3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine
SMILESNC1(C(F)F)CCCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H20F2N2O2S/c12-10(13)11(14)4-1-5-15(8-11)9-2-6-18(16,17)7-3-9/h9-10H,1-8,14H2
InChIKeyNPICXKMUMYVKGC-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothian-4-yl)-N-methyl-4-(trifluoromethyl)piperidin-4-amine
CID 170587372
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
[1,1-Dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 61562893
1,1-dioxo-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiolan-3-amine
CID 62574609
1,1-Dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 62692740
N-(1,1-dioxothian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63922326
[1,1-Dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 63924816
3-(aminomethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 65377196
1,1-Dioxo-4-[4-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 65537986
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521170
3,3,3-trifluoro-N-((1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814283
1,1,1-Trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine
CID 102882685

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine?
The IUPAC name of 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine (CID 115051910) is 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine is NC1(C(F)F)CCCN(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine?
The InChIKey is NPICXKMUMYVKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2S/c12-10(13)11(14)4-1-5-15(8-11)9-2-6-18(16,17)7-3-9/h9-10H,1-8,14H2.
What are the key properties of 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine?
3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine has a molecular weight of 282.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine is sourced from PubChem (CID 115051910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).