N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine

C15H18N2O2S — CID 1488749

IUPACN,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine
SMILESCc1cc(-c2ccccc2)nc(N(C)C)c1S(C)(=O)=O
InChIInChI=1S/C15H18N2O2S/c1-11-10-13(12-8-6-5-7-9-12)16-15(17(2)3)14(11)20(4,18)19/h5-10H,1-4H3
InChIKeyMEADBZBPEOWDCG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.53
Rot. Bonds3

About N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine

N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine (PubChem CID 1488749) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine
PubChem CID1488749
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine
SMILESCc1cc(-c2ccccc2)nc(N(C)C)c1S(C)(=O)=O
InChIInChI=1S/C15H18N2O2S/c1-11-10-13(12-8-6-5-7-9-12)16-15(17(2)3)14(11)20(4,18)19/h5-10H,1-4H3
InChIKeyMEADBZBPEOWDCG-UHFFFAOYSA-N
XLogP2.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine?
The IUPAC name of N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine (CID 1488749) is N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine?
The canonical SMILES for N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine is Cc1cc(-c2ccccc2)nc(N(C)C)c1S(C)(=O)=O.
What is the InChIKey of N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine?
The InChIKey is MEADBZBPEOWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-10-13(12-8-6-5-7-9-12)16-15(17(2)3)14(11)20(4,18)19/h5-10H,1-4H3.
What are the key properties of N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine?
N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-methylsulfonyl-6-phenylpyridin-2-amine is sourced from PubChem (CID 1488749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).