N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C13H20N4O6S — CID 163318729

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O6S/c1-16(2)24(21,22)7-8-5-23-6-10(8)14-11(18)9-4-17(3)13(20)15-12(9)19/h4,8,10H,5-7H2,1-3H3,(H,14,18)(H,15,19,20)/t8-,10+/m0/s1
InChIKeyVKLINSREXIEWES-WCBMZHEXSA-N
MW360.39 g/mol
LogP-2.29
Rot. Bonds5

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 163318729) has the molecular formula C13H20N4O6S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID163318729
Molecular FormulaC13H20N4O6S
Molecular Weight360.39 g/mol
Exact Mass360.11
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O6S/c1-16(2)24(21,22)7-8-5-23-6-10(8)14-11(18)9-4-17(3)13(20)15-12(9)19/h4,8,10H,5-7H2,1-3H3,(H,14,18)(H,15,19,20)/t8-,10+/m0/s1
InChIKeyVKLINSREXIEWES-WCBMZHEXSA-N
XLogP-2.29
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 135115933
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
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-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 156583849
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
CID 135119969
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-hydroxy-2-methylbenzamide
CID 135103380
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzamide
CID 135090773
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135119015

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 163318729) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is VKLINSREXIEWES-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H20N4O6S/c1-16(2)24(21,22)7-8-5-23-6-10(8)14-11(18)9-4-17(3)13(20)15-12(9)19/h4,8,10H,5-7H2,1-3H3,(H,14,18)(H,15,19,20)/t8-,10+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 360.39 g/mol, XLogP of -2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 163318729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).