1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide

C16H21N3O3S — CID 95307548

IUPAC1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(C[C@H]1CCCCO1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-16-8-4-5-9-22-16)18-11-14-10-17-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,10,12,16,18H,4-5,8-9,11,13H2/t16-/m1/s1
InChIKeyHGGKEDYQMNBXCS-MRXNPFEDSA-N
MW335.43 g/mol
LogP1.86
Rot. Bonds6

About 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide

1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 95307548) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID95307548
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(C[C@H]1CCCCO1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-16-8-4-5-9-22-16)18-11-14-10-17-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,10,12,16,18H,4-5,8-9,11,13H2/t16-/m1/s1
InChIKeyHGGKEDYQMNBXCS-MRXNPFEDSA-N
XLogP1.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60976579
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 102555706
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
N-[[3-(bromomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114298048
N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 75493390
N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide
CID 167960042
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide (CID 95307548) is 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide is O=S(=O)(C[C@H]1CCCCO1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is HGGKEDYQMNBXCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-23(21,13-16-8-4-5-9-22-16)18-11-14-10-17-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,10,12,16,18H,4-5,8-9,11,13H2/t16-/m1/s1.
What are the key properties of 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 95307548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).