N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine

C11H13F2NO2S — CID 43511555

IUPACN-(3,5-difluorophenyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H13F2NO2S/c12-8-5-9(13)7-11(6-8)14-10-1-3-17(15,16)4-2-10/h5-7,10,14H,1-4H2
InChIKeyJBVRPDDRXJCHRC-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.95
Rot. Bonds2

About N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine

N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine (PubChem CID 43511555) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1,1-dioxothian-4-amine
PubChem CID43511555
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC NameN-(3,5-difluorophenyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H13F2NO2S/c12-8-5-9(13)7-11(6-8)14-10-1-3-17(15,16)4-2-10/h5-7,10,14H,1-4H2
InChIKeyJBVRPDDRXJCHRC-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-difluorophenyl)-1,1-dioxothian-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

Related Compounds

N-(3-chloro-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43511704
N-(4-chloro-3-fluorophenyl)-1,1-dioxothian-4-amine
CID 43721635
3-N-(1,1-dioxothian-4-yl)-5-methylbenzene-1,3-diamine
CID 112647228
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothian-4-amine
CID 43719371
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
CID 28523701
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
N-(3,5-difluorophenyl)oxolan-3-amine
CID 63331468
1,1-dioxo-N-(2,4,5-trifluorophenyl)thiolan-3-amine
CID 55118632
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
methyl 5-[(1,1-dioxothian-4-yl)amino]-2-fluorobenzoate
CID 43715483

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine (CID 43511555) is N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine is O=S1(=O)CCC(Nc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine?
The InChIKey is JBVRPDDRXJCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c12-8-5-9(13)7-11(6-8)14-10-1-3-17(15,16)4-2-10/h5-7,10,14H,1-4H2.
What are the key properties of N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine?
N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine has a molecular weight of 261.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).