N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine

C15H22N2O3S — CID 114414047

IUPACN-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(S(=O)(=O)N2CC=CCC2)c1
InChIInChI=1S/C15H22N2O3S/c1-3-16-12-13-7-8-14(20-2)15(11-13)21(18,19)17-9-5-4-6-10-17/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3
InChIKeyDPEQRFUAQDZDDP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds6

About N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine

N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine (PubChem CID 114414047) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine
PubChem CID114414047
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(S(=O)(=O)N2CC=CCC2)c1
InChIInChI=1S/C15H22N2O3S/c1-3-16-12-13-7-8-14(20-2)15(11-13)21(18,19)17-9-5-4-6-10-17/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3
InChIKeyDPEQRFUAQDZDDP-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine 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

N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]ethanamine
CID 114414026
N-[[4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]ethanamine
CID 114414130
1-[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]-N-methylmethanamine
CID 114413890
N-[[5-bromo-4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)furan-2-yl]methyl]ethanamine
CID 114414123
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
N-[[4-fluoro-3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methyl]ethanamine
CID 114414190
N-[[4-bromo-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]cyclopropanamine
CID 114414008
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
N-[[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-3-fluorophenyl]methyl]propan-2-amine
CID 114414036
3-[3-(3,6-dihydro-2H-pyridin-1-ylsulfonylamino)-4-methoxyphenyl]propanoic acid
CID 166302572
1-[4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110818000

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine (CID 114414047) is N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OC)c(S(=O)(=O)N2CC=CCC2)c1.
What is the InChIKey of N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine?
The InChIKey is DPEQRFUAQDZDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-16-12-13-7-8-14(20-2)15(11-13)21(18,19)17-9-5-4-6-10-17/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3.
What are the key properties of N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine?
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine has a molecular weight of 310.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 114414047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).