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

C14H23N3O7S — CID 167095243

IUPAC1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C[C@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC(C)C
InChIInChI=1S/C14H23N3O7S/c1-8(2)23-11-9(7-25(20,21)15-3)24-13(12(11)22-4)17-6-5-10(18)16-14(17)19/h5-6,8-9,11-13,15H,7H2,1-4H3,(H,16,18,19)/t9-,11-,12-,13?/m1/s1
InChIKeyXHVPBVAZUNISST-INCVAACISA-N
MW377.42 g/mol
LogP-1.21
Rot. Bonds7

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

1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide (PubChem CID 167095243) has the molecular formula C14H23N3O7S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
PubChem CID167095243
Molecular FormulaC14H23N3O7S
Molecular Weight377.42 g/mol
Exact Mass377.13
IUPAC Name1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C[C@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC(C)C
InChIInChI=1S/C14H23N3O7S/c1-8(2)23-11-9(7-25(20,21)15-3)24-13(12(11)22-4)17-6-5-10(18)16-14(17)19/h5-6,8-9,11-13,15H,7H2,1-4H3,(H,16,18,19)/t9-,11-,12-,13?/m1/s1
InChIKeyXHVPBVAZUNISST-INCVAACISA-N
XLogP-1.21
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 ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide
CID 164788422
1-[(2R,5R)-5-ethyl-3-methoxy-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174076442
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356
1-[(2R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70658640
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164965705
1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174082533
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-[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethanesulfonate
CID 178051976

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide (CID 167095243) is 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)C[C@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OC(C)C.
What is the InChIKey of 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is XHVPBVAZUNISST-INCVAACISA-N. The full InChI is InChI=1S/C14H23N3O7S/c1-8(2)23-11-9(7-25(20,21)15-3)24-13(12(11)22-4)17-6-5-10(18)16-14(17)19/h5-6,8-9,11-13,15H,7H2,1-4H3,(H,16,18,19)/t9-,11-,12-,13?/m1/s1.
What are the key properties of 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide?
1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 377.42 g/mol, XLogP of -1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 167095243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).