N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide

C15H23N3O6S — CID 135107442

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(OC)n1
InChIInChI=1S/C15H23N3O6S/c1-18(2)25(20,21)9-10-7-24-8-12(10)16-14(19)11-5-6-13(22-3)17-15(11)23-4/h5-6,10,12H,7-9H2,1-4H3,(H,16,19)/t10-,12-/m0/s1
InChIKeyIQEFBIYRMLXKAK-JQWIXIFHSA-N
MW373.43 g/mol
LogP-0.26
Rot. Bonds7

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 135107442) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID135107442
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(OC)n1
InChIInChI=1S/C15H23N3O6S/c1-18(2)25(20,21)9-10-7-24-8-12(10)16-14(19)11-5-6-13(22-3)17-15(11)23-4/h5-6,10,12H,7-9H2,1-4H3,(H,16,19)/t10-,12-/m0/s1
InChIKeyIQEFBIYRMLXKAK-JQWIXIFHSA-N
XLogP-0.26
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 135100112
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxybenzamide
CID 135108936
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 135095221
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzamide
CID 135090773
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 135111202
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157017466
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-hydroxy-2-methylbenzamide
CID 135103380

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide (CID 135107442) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(OC)n1.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is IQEFBIYRMLXKAK-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-18(2)25(20,21)9-10-7-24-8-12(10)16-14(19)11-5-6-13(22-3)17-15(11)23-4/h5-6,10,12H,7-9H2,1-4H3,(H,16,19)/t10-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 135107442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).