2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine

C13H21N3O3S — CID 63669829

IUPAC2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
SMILESCOc1cc(NC2CCN(S(C)(=O)=O)CC2)ccc1N
InChIInChI=1S/C13H21N3O3S/c1-19-13-9-11(3-4-12(13)14)15-10-5-7-16(8-6-10)20(2,17)18/h3-4,9-10,15H,5-8,14H2,1-2H3
InChIKeyAAFHPCNGVXPABK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.11
Rot. Bonds4

About 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine

2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine (PubChem CID 63669829) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
PubChem CID63669829
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
SMILESCOc1cc(NC2CCN(S(C)(=O)=O)CC2)ccc1N
InChIInChI=1S/C13H21N3O3S/c1-19-13-9-11(3-4-12(13)14)15-10-5-7-16(8-6-10)20(2,17)18/h3-4,9-10,15H,5-8,14H2,1-2H3
InChIKeyAAFHPCNGVXPABK-UHFFFAOYSA-N
XLogP1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(1-methylsulfonylpiperidin-4-yl)amino]benzonitrile
CID 115499159
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
CID 63676263
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
CID 115320463
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
CID 4270050
ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine
CID 144986439
4-N-(1,1-dioxothiolan-3-yl)-2-methoxybenzene-1,4-diamine
CID 55232141
3-(4-amino-3-methoxyanilino)-1-methylpyrrolidin-2-one
CID 106252196
5-(4-amino-3-methoxyanilino)piperidin-2-one
CID 63675556
2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
CID 57416151
4-chloro-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,2-diamine
CID 43628743

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine (CID 63669829) is 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine is COc1cc(NC2CCN(S(C)(=O)=O)CC2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine?
The InChIKey is AAFHPCNGVXPABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-19-13-9-11(3-4-12(13)14)15-10-5-7-16(8-6-10)20(2,17)18/h3-4,9-10,15H,5-8,14H2,1-2H3.
What are the key properties of 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine?
2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine has a molecular weight of 299.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 63669829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).