1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide

C17H25N3O5S — CID 126822097

IUPAC1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESO=C(C1CCOCC1)N1CCOC(CS(=O)(=O)NCc2ccccn2)C1
InChIInChI=1S/C17H25N3O5S/c21-17(14-4-8-24-9-5-14)20-7-10-25-16(12-20)13-26(22,23)19-11-15-3-1-2-6-18-15/h1-3,6,14,16,19H,4-5,7-13H2
InChIKeySLQDPJMHDXNZOY-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.16
Rot. Bonds6

About 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide

1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 126822097) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID126822097
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESO=C(C1CCOCC1)N1CCOC(CS(=O)(=O)NCc2ccccn2)C1
InChIInChI=1S/C17H25N3O5S/c21-17(14-4-8-24-9-5-14)20-7-10-25-16(12-20)13-26(22,23)19-11-15-3-1-2-6-18-15/h1-3,6,14,16,19H,4-5,7-13H2
InChIKeySLQDPJMHDXNZOY-UHFFFAOYSA-N
XLogP0.16
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide
CID 126822098
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 155983969
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
CID 112982951
[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[(3S)-oxolan-3-yl]methanone
CID 97362548
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 126822097) is 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide is O=C(C1CCOCC1)N1CCOC(CS(=O)(=O)NCc2ccccn2)C1.
What is the InChIKey of 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is SLQDPJMHDXNZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c21-17(14-4-8-24-9-5-14)20-7-10-25-16(12-20)13-26(22,23)19-11-15-3-1-2-6-18-15/h1-3,6,14,16,19H,4-5,7-13H2.
What are the key properties of 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 126822097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).