1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide

C13H18N6O7S — CID 177248495

IUPAC1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cn(C[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(OC)C2O)nn1
InChIInChI=1S/C13H18N6O7S/c1-14-27(23,24)9-6-18(17-16-9)5-7-10(21)11(25-2)12(26-7)19-4-3-8(20)15-13(19)22/h3-4,6-7,10-12,14,21H,5H2,1-2H3,(H,15,20,22)/t7-,10?,11?,12-/m1/s1
InChIKeyULUKBNQPDQVHBR-WTFFQADTSA-N
MW402.39 g/mol
LogP-2.99
Rot. Bonds6

About 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide

1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide (PubChem CID 177248495) has the molecular formula C13H18N6O7S and a molecular weight of 402.39 g/mol. Its IUPAC name is 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide
PubChem CID177248495
Molecular FormulaC13H18N6O7S
Molecular Weight402.39 g/mol
Exact Mass402.10
IUPAC Name1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cn(C[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(OC)C2O)nn1
InChIInChI=1S/C13H18N6O7S/c1-14-27(23,24)9-6-18(17-16-9)5-7-10(21)11(25-2)12(26-7)19-4-3-8(20)15-13(19)22/h3-4,6-7,10-12,14,21H,5H2,1-2H3,(H,15,20,22)/t7-,10?,11?,12-/m1/s1
InChIKeyULUKBNQPDQVHBR-WTFFQADTSA-N
XLogP-2.99
TPSA170.43 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-cyanoethoxy-[1-[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]triazol-4-yl]phosphoryl]oxypropanenitrile
CID 177194994
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164958906
1-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-[(prop-2-ynylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 174150751
1-[(2R,4S)-4-hydroxy-3-methoxy-5-[(propan-2-ylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 177291545
1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 174076838
1-[(2R,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70956068
1-[(2S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 69009867
1-[(2R,4S,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953345
[(2S,3S,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167713224
[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 3274683
1-[(2R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70658640

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide?
The IUPAC name of 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide (CID 177248495) is 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide.
What is the SMILES notation for 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide?
The canonical SMILES for 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide is CNS(=O)(=O)c1cn(C[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(OC)C2O)nn1.
What is the InChIKey of 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide?
The InChIKey is ULUKBNQPDQVHBR-WTFFQADTSA-N. The full InChI is InChI=1S/C13H18N6O7S/c1-14-27(23,24)9-6-18(17-16-9)5-7-10(21)11(25-2)12(26-7)19-4-3-8(20)15-13(19)22/h3-4,6-7,10-12,14,21H,5H2,1-2H3,(H,15,20,22)/t7-,10?,11?,12-/m1/s1.
What are the key properties of 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide?
1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide has a molecular weight of 402.39 g/mol, XLogP of -2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl]-N-methyltriazole-4-sulfonamide is sourced from PubChem (CID 177248495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).