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

C14H20N2O2S — CID 106315326

IUPACN-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCC=C(C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-12-4-3-9-16(11-12)19(17,18)14-7-5-13(6-8-14)10-15-2/h4-8,15H,3,9-11H2,1-2H3
InChIKeyBPTMTRPKOIWHSZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.75
Rot. Bonds4

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

N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine (PubChem CID 106315326) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
PubChem CID106315326
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCC=C(C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-12-4-3-9-16(11-12)19(17,18)14-7-5-13(6-8-14)10-15-2/h4-8,15H,3,9-11H2,1-2H3
InChIKeyBPTMTRPKOIWHSZ-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317194
1-[2-chloro-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317216
N-ethyl-2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]ethanamine
CID 106317140
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid
CID 106313430
1-[2-fluoro-3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317115
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonylmethyl]phenyl]methyl]ethanamine
CID 106317265
2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenoxy]ethanamine
CID 106317319
3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenoxy]propan-1-amine
CID 106317342
N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine
CID 106315322
N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 60822203
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114172233

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine (CID 106315326) is N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine is CNCc1ccc(S(=O)(=O)N2CCC=C(C)C2)cc1.
What is the InChIKey of N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
The InChIKey is BPTMTRPKOIWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-12-4-3-9-16(11-12)19(17,18)14-7-5-13(6-8-14)10-15-2/h4-8,15H,3,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine?
N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine has a molecular weight of 280.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine is sourced from PubChem (CID 106315326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).