N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline

C16H20N2O2S — CID 62307021

IUPACN-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NCc1cccc(C)n1
InChIInChI=1S/C16H20N2O2S/c1-3-11-21(19,20)16-10-5-4-9-15(16)17-12-14-8-6-7-13(2)18-14/h4-10,17H,3,11-12H2,1-2H3
InChIKeyDIKGCCFLUMJXDN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.19
Rot. Bonds6

About N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline

N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline (PubChem CID 62307021) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
PubChem CID62307021
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NCc1cccc(C)n1
InChIInChI=1S/C16H20N2O2S/c1-3-11-21(19,20)16-10-5-4-9-15(16)17-12-14-8-6-7-13(2)18-14/h4-10,17H,3,11-12H2,1-2H3
InChIKeyDIKGCCFLUMJXDN-UHFFFAOYSA-N
XLogP3.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 62307879
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylsulfonylaniline
CID 115990563
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylaniline
CID 79262883
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
CID 62308229
4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 100690186
1-methyl-3-(2-propylsulfonylphenyl)urea
CID 117061578
N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide
CID 86820820
2-propylsulfonyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)aniline
CID 114694713

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline (CID 62307021) is N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline is CCCS(=O)(=O)c1ccccc1NCc1cccc(C)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline?
The InChIKey is DIKGCCFLUMJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-11-21(19,20)16-10-5-4-9-15(16)17-12-14-8-6-7-13(2)18-14/h4-10,17H,3,11-12H2,1-2H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline?
N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline has a molecular weight of 304.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline is sourced from PubChem (CID 62307021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).