N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide

C16H22N4O3S — CID 167794018

IUPACN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCn1ccnc1C(NS(=O)(=O)c1cccnc1)C1CCOCC1
InChIInChI=1S/C16H22N4O3S/c1-2-20-9-8-18-16(20)15(13-5-10-23-11-6-13)19-24(21,22)14-4-3-7-17-12-14/h3-4,7-9,12-13,15,19H,2,5-6,10-11H2,1H3
InChIKeySTZIEKQYVPIEPH-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.74
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide

N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 167794018) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID167794018
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCn1ccnc1C(NS(=O)(=O)c1cccnc1)C1CCOCC1
InChIInChI=1S/C16H22N4O3S/c1-2-20-9-8-18-16(20)15(13-5-10-23-11-6-13)19-24(21,22)14-4-3-7-17-12-14/h3-4,7-9,12-13,15,19H,2,5-6,10-11H2,1H3
InChIKeySTZIEKQYVPIEPH-UHFFFAOYSA-N
XLogP1.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide
CID 128975568
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 128988103
N-[oxan-4-yl(pyridin-3-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91629864
1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 128976454
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
CID 128981950
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]pyridine-3-sulfonamide
CID 86790768
N-[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methylpyridine-3-carboxamide
CID 129351792
(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
CID 129482196
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 71997322
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 154796340
4-benzoyl-N-[(S)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]piperazine-1-carboxamide
CID 164638768
1-methyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 100702823

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide (CID 167794018) is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide is CCn1ccnc1C(NS(=O)(=O)c1cccnc1)C1CCOCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is STZIEKQYVPIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-2-20-9-8-18-16(20)15(13-5-10-23-11-6-13)19-24(21,22)14-4-3-7-17-12-14/h3-4,7-9,12-13,15,19H,2,5-6,10-11H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide?
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 167794018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).