N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C14H21N3O6S — CID 135114707

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1=O
InChIInChI=1S/C14H21N3O6S/c1-17(2)24(20,21)8-9-6-23-7-11(9)16-14(19)10-4-12(18)13(22-3)5-15-10/h4-5,9,11H,6-8H2,1-3H3,(H,15,18)(H,16,19)/t9-,11-/m0/s1
InChIKeyQWMRJOHLOWNQBZ-ONGXEEELSA-N
MW359.40 g/mol
LogP-0.98
Rot. Bonds6

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 135114707) has the molecular formula C14H21N3O6S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID135114707
Molecular FormulaC14H21N3O6S
Molecular Weight359.40 g/mol
Exact Mass359.12
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1=O
InChIInChI=1S/C14H21N3O6S/c1-17(2)24(20,21)8-9-6-23-7-11(9)16-14(19)10-4-12(18)13(22-3)5-15-10/h4-5,9,11H,6-8H2,1-3H3,(H,15,18)(H,16,19)/t9-,11-/m0/s1
InChIKeyQWMRJOHLOWNQBZ-ONGXEEELSA-N
XLogP-0.98
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 135114707) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1=O.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is QWMRJOHLOWNQBZ-ONGXEEELSA-N. The full InChI is InChI=1S/C14H21N3O6S/c1-17(2)24(20,21)8-9-6-23-7-11(9)16-14(19)10-4-12(18)13(22-3)5-15-10/h4-5,9,11H,6-8H2,1-3H3,(H,15,18)(H,16,19)/t9-,11-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 135114707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).