methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate

C13H20N4O5S — CID 162625903

IUPACmethyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H20N4O5S/c1-17(2)23(19,20)8-9-6-22-7-11(9)16-12-5-14-10(4-15-12)13(18)21-3/h4-5,9,11H,6-8H2,1-3H3,(H,15,16)/t9-,11+/m0/s1
InChIKeyCSMDHNNBOJNFLS-GXSJLCMTSA-N
MW344.39 g/mol
LogP-0.42
Rot. Bonds6

About methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate

methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate (PubChem CID 162625903) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate
PubChem CID162625903
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Namemethyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H20N4O5S/c1-17(2)23(19,20)8-9-6-22-7-11(9)16-12-5-14-10(4-15-12)13(18)21-3/h4-5,9,11H,6-8H2,1-3H3,(H,15,16)/t9-,11+/m0/s1
InChIKeyCSMDHNNBOJNFLS-GXSJLCMTSA-N
XLogP-0.42
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate with MolForge

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Related Compounds

1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135117620
methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate
CID 164690871
6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
CID 162636079
N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide
CID 135089691
1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135115048
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 135114707
N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide
CID 135095881
N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide
CID 135117350
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115806
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115737
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 135107442

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate (CID 162625903) is methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate is COC(=O)c1cnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1.
What is the InChIKey of methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate?
The InChIKey is CSMDHNNBOJNFLS-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-17(2)23(19,20)8-9-6-22-7-11(9)16-12-5-14-10(4-15-12)13(18)21-3/h4-5,9,11H,6-8H2,1-3H3,(H,15,16)/t9-,11+/m0/s1.
What are the key properties of methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate?
methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate has a molecular weight of 344.39 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 162625903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).