[4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine

C14H20N2O3S — CID 106317332

IUPAC[4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1S(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-7-16(10-11)20(17,18)14-8-12(9-15)5-6-13(14)19-2/h4-6,8H,3,7,9-10,15H2,1-2H3
InChIKeyNFANMYDVYHKTBK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.49
Rot. Bonds4

About [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine

[4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine (PubChem CID 106317332) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
PubChem CID106317332
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1S(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-7-16(10-11)20(17,18)14-8-12(9-15)5-6-13(14)19-2/h4-6,8H,3,7,9-10,15H2,1-2H3
InChIKeyNFANMYDVYHKTBK-UHFFFAOYSA-N
XLogP1.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
[5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317121
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6460333
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine
CID 83220075
N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106315326
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine
CID 114414047
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313313
4-[5-(aminomethyl)-2-methylphenyl]sulfonyl-1-methyl-1,4-diazepan-2-one
CID 102888753
1-[4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110818000
1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine
CID 106313643

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine (CID 106317332) is [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine is COc1ccc(CN)cc1S(=O)(=O)N1CCC=C(C)C1.
What is the InChIKey of [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The InChIKey is NFANMYDVYHKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-3-7-16(10-11)20(17,18)14-8-12(9-15)5-6-13(14)19-2/h4-6,8H,3,7,9-10,15H2,1-2H3.
What are the key properties of [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
[4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine has a molecular weight of 296.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine is sourced from PubChem (CID 106317332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).