2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide

C15H25N3O7S — CID 164788422

IUPAC2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC(C)C
InChIInChI=1S/C15H25N3O7S/c1-9(2)24-12-10(6-8-26(21,22)16-3)25-14(13(12)23-4)18-7-5-11(19)17-15(18)20/h5,7,9-10,12-14,16H,6,8H2,1-4H3,(H,17,19,20)/t10-,12-,13-,14-/m1/s1
InChIKeyBCBDBRWUAQDQCS-FMKGYKFTSA-N
MW391.45 g/mol
LogP-0.82
Rot. Bonds8

About 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide

2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide (PubChem CID 164788422) has the molecular formula C15H25N3O7S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide
PubChem CID164788422
Molecular FormulaC15H25N3O7S
Molecular Weight391.45 g/mol
Exact Mass391.14
IUPAC Name2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC(C)C
InChIInChI=1S/C15H25N3O7S/c1-9(2)24-12-10(6-8-26(21,22)16-3)25-14(13(12)23-4)18-7-5-11(19)17-15(18)20/h5,7,9-10,12-14,16H,6,8H2,1-4H3,(H,17,19,20)/t10-,12-,13-,14-/m1/s1
InChIKeyBCBDBRWUAQDQCS-FMKGYKFTSA-N
XLogP-0.82
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 167095243
1-[(2R,5R)-5-ethyl-3-methoxy-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174076442
1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 174076838
2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
CID 167509202
2-methylpropyl 2-[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethanesulfonate
CID 178051976
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164965705
1-[(2R,4S)-4-hydroxy-3-methoxy-5-[(propan-2-ylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 177291545
1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethyl dihydrogen phosphate
CID 126576968
2-methylpropyl 2-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]ethanesulfonate
CID 178051971
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461488

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide (CID 164788422) is 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide is CNS(=O)(=O)CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC(C)C.
What is the InChIKey of 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide?
The InChIKey is BCBDBRWUAQDQCS-FMKGYKFTSA-N. The full InChI is InChI=1S/C15H25N3O7S/c1-9(2)24-12-10(6-8-26(21,22)16-3)25-14(13(12)23-4)18-7-5-11(19)17-15(18)20/h5,7,9-10,12-14,16H,6,8H2,1-4H3,(H,17,19,20)/t10-,12-,13-,14-/m1/s1.
What are the key properties of 2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide?
2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide has a molecular weight of 391.45 g/mol, XLogP of -0.82, 8 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)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 164788422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).