2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide

C14H23N3O7S — CID 167509202

IUPAC2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC
InChIInChI=1S/C14H23N3O7S/c1-8-7-17(14(19)16-12(8)18)13-11(23-4)10(22-3)9(24-13)5-6-25(20,21)15-2/h7,9-11,13,15H,5-6H2,1-4H3,(H,16,18,19)/t9-,10-,11-,13-/m1/s1
InChIKeyRBLCCRYWXZSNMV-PRULPYPASA-N
MW377.42 g/mol
LogP-1.29
Rot. Bonds7

About 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide

2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide (PubChem CID 167509202) has the molecular formula C14H23N3O7S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
PubChem CID167509202
Molecular FormulaC14H23N3O7S
Molecular Weight377.42 g/mol
Exact Mass377.13
IUPAC Name2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC
InChIInChI=1S/C14H23N3O7S/c1-8-7-17(14(19)16-12(8)18)13-11(23-4)10(22-3)9(24-13)5-6-25(20,21)15-2/h7,9-11,13,15H,5-6H2,1-4H3,(H,16,18,19)/t9-,10-,11-,13-/m1/s1
InChIKeyRBLCCRYWXZSNMV-PRULPYPASA-N
XLogP-1.29
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide
CID 164788422
1-[(2R,5S)-4,5-bis(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 163539028
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 174076838
1-[(4R,6R,6aS)-6-(hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-methylpyrimidine-2,4-dione
CID 118600322
1-[(2R,3R,4R,5R)-5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methoxy-4-propan-2-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 168757121
4-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 90136209
[(2R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hypofluorite
CID 57032384
1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 167095243
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3S)-3-methoxybutan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67961716
[hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methylphosphonic acid
CID 155537750

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide (CID 167509202) is 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide is CNS(=O)(=O)CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC.
What is the InChIKey of 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide?
The InChIKey is RBLCCRYWXZSNMV-PRULPYPASA-N. The full InChI is InChI=1S/C14H23N3O7S/c1-8-7-17(14(19)16-12(8)18)13-11(23-4)10(22-3)9(24-13)5-6-25(20,21)15-2/h7,9-11,13,15H,5-6H2,1-4H3,(H,16,18,19)/t9-,10-,11-,13-/m1/s1.
What are the key properties of 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide?
2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide has a molecular weight of 377.42 g/mol, XLogP of -1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 167509202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).