N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine

C14H16N2OS — CID 72998814

IUPACN,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine
SMILESCc1ccc(S(=O)c2cnccc2N(C)C)cc1
InChIInChI=1S/C14H16N2OS/c1-11-4-6-12(7-5-11)18(17)14-10-15-9-8-13(14)16(2)3/h4-10H,1-3H3
InChIKeyQYDQJMVPYRJMLY-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.62
Rot. Bonds3

About N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine

N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine (PubChem CID 72998814) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine
PubChem CID72998814
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine
SMILESCc1ccc(S(=O)c2cnccc2N(C)C)cc1
InChIInChI=1S/C14H16N2OS/c1-11-4-6-12(7-5-11)18(17)14-10-15-9-8-13(14)16(2)3/h4-10H,1-3H3
InChIKeyQYDQJMVPYRJMLY-UHFFFAOYSA-N
XLogP2.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine?
The IUPAC name of N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine (CID 72998814) is N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine is Cc1ccc(S(=O)c2cnccc2N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine?
The InChIKey is QYDQJMVPYRJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-4-6-12(7-5-11)18(17)14-10-15-9-8-13(14)16(2)3/h4-10H,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine?
N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine has a molecular weight of 260.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine is sourced from PubChem (CID 72998814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).