N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine

C12H14N2O2S — CID 147293271

IUPACN-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine
SMILESC=NC1=CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H14N2O2S/c1-13-11-7-9-14(10-8-11)17(15,16)12-5-3-2-4-6-12/h2-7H,1,8-10H2
InChIKeyCUPUGTYQVYNQSL-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.67
Rot. Bonds3

About N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine

N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine (PubChem CID 147293271) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine
PubChem CID147293271
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine
SMILESC=NC1=CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H14N2O2S/c1-13-11-7-9-14(10-8-11)17(15,16)12-5-3-2-4-6-12/h2-7H,1,8-10H2
InChIKeyCUPUGTYQVYNQSL-UHFFFAOYSA-N
XLogP1.67
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770434
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
[[1-(benzenesulfonyl)piperidin-4-ylidene]amino] benzenesulfonate
CID 2765902
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
[[1-(benzenesulfonyl)piperidin-4-ylidene]amino] methanesulfonate
CID 2765901
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3819741
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
[[1-(benzenesulfonyl)piperidin-4-ylidene]amino] 4-chlorobenzenesulfonate
CID 2765908
1-(benzenesulfonyl)piperidine-3-carbaldehyde
CID 63845737
1-(4-methylphenyl)sulfonyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 134379961

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine?
The IUPAC name of N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine (CID 147293271) is N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine is C=NC1=CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine?
The InChIKey is CUPUGTYQVYNQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-13-11-7-9-14(10-8-11)17(15,16)12-5-3-2-4-6-12/h2-7H,1,8-10H2.
What are the key properties of N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine?
N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine has a molecular weight of 250.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]methanimine is sourced from PubChem (CID 147293271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).