[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine

C14H20ClFN2O2S — CID 81450845

IUPAC[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCC1CCCC(C)N1S(=O)(=O)c1cc(F)c(Cl)c(CN)c1
InChIInChI=1S/C14H20ClFN2O2S/c1-9-4-3-5-10(2)18(9)21(19,20)12-6-11(8-17)14(15)13(16)7-12/h6-7,9-10H,3-5,8,17H2,1-2H3
InChIKeyZJJTWYMGWXQLMB-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.89
Rot. Bonds3

About [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine

[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine (PubChem CID 81450845) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
PubChem CID81450845
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCC1CCCC(C)N1S(=O)(=O)c1cc(F)c(Cl)c(CN)c1
InChIInChI=1S/C14H20ClFN2O2S/c1-9-4-3-5-10(2)18(9)21(19,20)12-6-11(8-17)14(15)13(16)7-12/h6-7,9-10H,3-5,8,17H2,1-2H3
InChIKeyZJJTWYMGWXQLMB-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine 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 [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The IUPAC name of [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine (CID 81450845) is [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The canonical SMILES for [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine is CC1CCCC(C)N1S(=O)(=O)c1cc(F)c(Cl)c(CN)c1.
What is the InChIKey of [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The InChIKey is ZJJTWYMGWXQLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-9-4-3-5-10(2)18(9)21(19,20)12-6-11(8-17)14(15)13(16)7-12/h6-7,9-10H,3-5,8,17H2,1-2H3.
What are the key properties of [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine has a molecular weight of 334.84 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine is sourced from PubChem (CID 81450845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).