methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate

C14H22N4O5S — CID 164690871

IUPACmethyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H22N4O5S/c1-9-5-11(13(19)22-4)16-14(15-9)17-12-7-23-6-10(12)8-24(20,21)18(2)3/h5,10,12H,6-8H2,1-4H3,(H,15,16,17)/t10-,12+/m0/s1
InChIKeyFGKIZZGUEZBPOJ-CMPLNLGQSA-N
MW358.42 g/mol
LogP-0.11
Rot. Bonds6

About methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate

methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate (PubChem CID 164690871) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate
PubChem CID164690871
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Namemethyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H22N4O5S/c1-9-5-11(13(19)22-4)16-14(15-9)17-12-7-23-6-10(12)8-24(20,21)18(2)3/h5,10,12H,6-8H2,1-4H3,(H,15,16,17)/t10-,12+/m0/s1
InChIKeyFGKIZZGUEZBPOJ-CMPLNLGQSA-N
XLogP-0.11
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate with MolForge

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Related Compounds

methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate
CID 162625903
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,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide
CID 135089691
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 135111202
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
6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
CID 162636079
1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135117620
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 135114707
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 135100112
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]-2,6-dimethoxypyridine-3-carboxamide
CID 135107442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate (CID 164690871) is methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1.
What is the InChIKey of methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
The InChIKey is FGKIZZGUEZBPOJ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-9-5-11(13(19)22-4)16-14(15-9)17-12-7-23-6-10(12)8-24(20,21)18(2)3/h5,10,12H,6-8H2,1-4H3,(H,15,16,17)/t10-,12+/m0/s1.
What are the key properties of methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate has a molecular weight of 358.42 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 164690871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).