N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C14H22N4O6S — CID 135115933

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O6S/c1-9-4-18(14(21)16-13(9)20)5-12(19)15-11-7-24-6-10(11)8-25(22,23)17(2)3/h4,10-11H,5-8H2,1-3H3,(H,15,19)(H,16,20,21)/t10-,11-/m0/s1
InChIKeySDWNPWYYRTZLIR-QWRGUYRKSA-N
MW374.42 g/mol
LogP-2.13
Rot. Bonds6

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 135115933) has the molecular formula C14H22N4O6S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID135115933
Molecular FormulaC14H22N4O6S
Molecular Weight374.42 g/mol
Exact Mass374.13
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O6S/c1-9-4-18(14(21)16-13(9)20)5-12(19)15-11-7-24-6-10(11)8-25(22,23)17(2)3/h4,10-11H,5-8H2,1-3H3,(H,15,19)(H,16,20,21)/t10-,11-/m0/s1
InChIKeySDWNPWYYRTZLIR-QWRGUYRKSA-N
XLogP-2.13
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 163318729
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91762804
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56884269
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 135096220
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide
CID 135117226
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91794603
(1S,3S,4S)-N-(cyclopropylmethyl)-3-hydroxy-4-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 157012689
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide
CID 135116358
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91786566
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 135115933) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is SDWNPWYYRTZLIR-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H22N4O6S/c1-9-4-18(14(21)16-13(9)20)5-12(19)15-11-7-24-6-10(11)8-25(22,23)17(2)3/h4,10-11H,5-8H2,1-3H3,(H,15,19)(H,16,20,21)/t10-,11-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 374.42 g/mol, XLogP of -2.13, 6 rotatable bonds, 2 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-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 135115933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).