[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine

C14H20Cl2N2O2S — CID 43605278

IUPAC[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CCC(CN)CC2)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)18-5-3-11(8-17)4-6-18/h7,11H,3-6,8,17H2,1-2H3
InChIKeyANYMNHYDQHBNFT-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.97
Rot. Bonds3

About [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine

[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 43605278) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine
PubChem CID43605278
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CCC(CN)CC2)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)18-5-3-11(8-17)4-6-18/h7,11H,3-6,8,17H2,1-2H3
InChIKeyANYMNHYDQHBNFT-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine (CID 43605278) is [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine is Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC(CN)CC2)c1Cl.
What is the InChIKey of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is ANYMNHYDQHBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)18-5-3-11(8-17)4-6-18/h7,11H,3-6,8,17H2,1-2H3.
What are the key properties of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine?
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 351.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43605278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).