3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine

C16H20N2O2S — CID 103183550

IUPAC3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine
SMILESCc1cccc(CS(=O)(=O)Cc2ncc(C)c(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-5-4-6-14(7-11)9-21(19,20)10-15-13(3)16(17)12(2)8-18-15/h4-8H,9-10H2,1-3H3,(H2,17,18)
InChIKeyHTCVCNUBMFZAGK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.70
Rot. Bonds4

About 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine

3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine (PubChem CID 103183550) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine
PubChem CID103183550
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine
SMILESCc1cccc(CS(=O)(=O)Cc2ncc(C)c(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-5-4-6-14(7-11)9-21(19,20)10-15-13(3)16(17)12(2)8-18-15/h4-8H,9-10H2,1-3H3,(H2,17,18)
InChIKeyHTCVCNUBMFZAGK-UHFFFAOYSA-N
XLogP2.70
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine (CID 103183550) is 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine is Cc1cccc(CS(=O)(=O)Cc2ncc(C)c(N)c2C)c1.
What is the InChIKey of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine?
The InChIKey is HTCVCNUBMFZAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-5-4-6-14(7-11)9-21(19,20)10-15-13(3)16(17)12(2)8-18-15/h4-8H,9-10H2,1-3H3,(H2,17,18).
What are the key properties of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine?
3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine has a molecular weight of 304.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-methylphenyl)methylsulfonylmethyl]pyridin-4-amine is sourced from PubChem (CID 103183550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).