1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane

C14H20F2N2S — CID 170068494

IUPAC1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane
SMILES[H]/N=S(\c1cccc(CC2CCNCC2)c1)C(C)(F)F
InChIInChI=1S/C14H20F2N2S/c1-14(15,16)19(17)13-4-2-3-12(10-13)9-11-5-7-18-8-6-11/h2-4,10-11,17-18H,5-9H2,1H3
InChIKeyLQMIWEQNHRNKRA-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.58
Rot. Bonds4

About 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane

1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane (PubChem CID 170068494) has the molecular formula C14H20F2N2S and a molecular weight of 286.39 g/mol. Its IUPAC name is 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane.

Molecular Properties

Compound Name1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane
PubChem CID170068494
Molecular FormulaC14H20F2N2S
Molecular Weight286.39 g/mol
Exact Mass286.13
IUPAC Name1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane
SMILES[H]/N=S(\c1cccc(CC2CCNCC2)c1)C(C)(F)F
InChIInChI=1S/C14H20F2N2S/c1-14(15,16)19(17)13-4-2-3-12(10-13)9-11-5-7-18-8-6-11/h2-4,10-11,17-18H,5-9H2,1H3
InChIKeyLQMIWEQNHRNKRA-UHFFFAOYSA-N
XLogP3.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane 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 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane?
The IUPAC name of 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane (CID 170068494) is 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane.
What is the SMILES notation for 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane?
The canonical SMILES for 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane is [H]/N=S(\c1cccc(CC2CCNCC2)c1)C(C)(F)F.
What is the InChIKey of 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane?
The InChIKey is LQMIWEQNHRNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2S/c1-14(15,16)19(17)13-4-2-3-12(10-13)9-11-5-7-18-8-6-11/h2-4,10-11,17-18H,5-9H2,1H3.
What are the key properties of 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane?
1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane has a molecular weight of 286.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethyl-imino-[3-(piperidin-4-ylmethyl)phenyl]-λ4-sulfane is sourced from PubChem (CID 170068494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).