6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine

C16H20N2O2S — CID 43675225

IUPAC6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
SMILESCC(C)c1ccc(CNc2ccc(S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)14-6-4-13(5-7-14)10-17-15-8-9-16(18-11-15)21(3,19)20/h4-9,11-12,17H,10H2,1-3H3
InChIKeyLIQHNIYLDOHSKO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.22
Rot. Bonds5

About 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine

6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine (PubChem CID 43675225) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
PubChem CID43675225
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
SMILESCC(C)c1ccc(CNc2ccc(S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)14-6-4-13(5-7-14)10-17-15-8-9-16(18-11-15)21(3,19)20/h4-9,11-12,17H,10H2,1-3H3
InChIKeyLIQHNIYLDOHSKO-UHFFFAOYSA-N
XLogP3.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
CID 43675232
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
5-[(4-propan-2-ylphenyl)methylamino]pyridine-2-carbothioamide
CID 115488478
N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
CID 43675220
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
2-methyl-3-[(6-methylsulfonyl-3-pyridinyl)amino]butan-2-ol
CID 65338019
N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine (CID 43675225) is 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine is CC(C)c1ccc(CNc2ccc(S(C)(=O)=O)nc2)cc1.
What is the InChIKey of 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine?
The InChIKey is LIQHNIYLDOHSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(2)14-6-4-13(5-7-14)10-17-15-8-9-16(18-11-15)21(3,19)20/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine?
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine has a molecular weight of 304.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43675225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).