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

C11H20F2N2O2S — CID 115051911

IUPAC4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine
SMILESNC1(C(F)F)CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H20F2N2O2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-18(16,17)8-2-9/h9-10H,1-8,14H2
InChIKeyKSABCYRTVNJURJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.62
Rot. Bonds2

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

4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine (PubChem CID 115051911) has the molecular formula C11H20F2N2O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine
PubChem CID115051911
Molecular FormulaC11H20F2N2O2S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Name4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine
SMILESNC1(C(F)F)CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H20F2N2O2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-18(16,17)8-2-9/h9-10H,1-8,14H2
InChIKeyKSABCYRTVNJURJ-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

Analyze 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine (CID 115051911) is 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine is NC1(C(F)F)CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?
The InChIKey is KSABCYRTVNJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-18(16,17)8-2-9/h9-10H,1-8,14H2.
What are the key properties of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?
4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-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 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine is sourced from PubChem (CID 115051911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).