N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine

C14H20N2O3S — CID 57018806

IUPACN-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine
SMILESC=C(NOC)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12(15-19-2)13-6-8-14(9-7-13)20(17,18)16-10-4-3-5-11-16/h6-9,15H,1,3-5,10-11H2,2H3
InChIKeyPNRZZMOBQSVJQL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.98
Rot. Bonds5

About N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine

N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine (PubChem CID 57018806) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine.

Molecular Properties

Compound NameN-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine
PubChem CID57018806
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine
SMILESC=C(NOC)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12(15-19-2)13-6-8-14(9-7-13)20(17,18)16-10-4-3-5-11-16/h6-9,15H,1,3-5,10-11H2,2H3
InChIKeyPNRZZMOBQSVJQL-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
[(2S)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 27010048
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 27010046
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
2-oxopropyl 4-piperidin-1-ylsulfonylbenzoate
CID 2557067
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine?
The IUPAC name of N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine (CID 57018806) is N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine.
What is the SMILES notation for N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine?
The canonical SMILES for N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine is C=C(NOC)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine?
The InChIKey is PNRZZMOBQSVJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12(15-19-2)13-6-8-14(9-7-13)20(17,18)16-10-4-3-5-11-16/h6-9,15H,1,3-5,10-11H2,2H3.
What are the key properties of N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine?
N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine has a molecular weight of 296.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-piperidin-1-ylsulfonylphenyl)ethenamine is sourced from PubChem (CID 57018806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).