4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine

C12H20N2O3S — CID 82896360

IUPAC4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
SMILESCOc1cc(C)nc(CS(=O)(=O)CCC(C)N)c1
InChIInChI=1S/C12H20N2O3S/c1-9(13)4-5-18(15,16)8-11-7-12(17-3)6-10(2)14-11/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyYWRQXCCQNLSCDC-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.05
Rot. Bonds6

About 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine

4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine (PubChem CID 82896360) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine.

Molecular Properties

Compound Name4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
PubChem CID82896360
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
SMILESCOc1cc(C)nc(CS(=O)(=O)CCC(C)N)c1
InChIInChI=1S/C12H20N2O3S/c1-9(13)4-5-18(15,16)8-11-7-12(17-3)6-10(2)14-11/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyYWRQXCCQNLSCDC-UHFFFAOYSA-N
XLogP1.05
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-1-amine
CID 82896451
4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
CID 81194020
4-[(3-methoxy-5-nitrophenyl)methylsulfonyl]butan-2-amine
CID 81193344
4-[(2-methoxy-5-methylphenyl)methylsulfonyl]butan-2-amine
CID 81194014
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]butan-2-amine
CID 81194177
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 82887878
3-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-oxopropanoic acid
CID 103973248
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
CID 82893724
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229070
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 82891992

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
The IUPAC name of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine (CID 82896360) is 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine.
What is the SMILES notation for 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
The canonical SMILES for 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine is COc1cc(C)nc(CS(=O)(=O)CCC(C)N)c1.
What is the InChIKey of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
The InChIKey is YWRQXCCQNLSCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(13)4-5-18(15,16)8-11-7-12(17-3)6-10(2)14-11/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine?
4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine has a molecular weight of 272.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine is sourced from PubChem (CID 82896360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).