N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C15H18N4O6S — CID 133266438

IUPACN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cn1
InChIInChI=1S/C15H18N4O6S/c1-9-2-3-10(6-16-9)25-12-8-24-5-4-11(12)19-26(22,23)13-7-17-15(21)18-14(13)20/h2-3,6-7,11-12,19H,4-5,8H2,1H3,(H2,17,18,20,21)/t11-,12+/m0/s1
InChIKeyXONWWYMMAIDPAC-NWDGAFQWSA-N
MW382.40 g/mol
LogP-0.72
Rot. Bonds5

About N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 133266438) has the molecular formula C15H18N4O6S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID133266438
Molecular FormulaC15H18N4O6S
Molecular Weight382.40 g/mol
Exact Mass382.09
IUPAC NameN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cn1
InChIInChI=1S/C15H18N4O6S/c1-9-2-3-10(6-16-9)25-12-8-24-5-4-11(12)19-26(22,23)13-7-17-15(21)18-14(13)20/h2-3,6-7,11-12,19H,4-5,8H2,1H3,(H2,17,18,20,21)/t11-,12+/m0/s1
InChIKeyXONWWYMMAIDPAC-NWDGAFQWSA-N
XLogP-0.72
TPSA143.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide
CID 133268312
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 133260661
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
3-amino-4-chloro-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91780973
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 91762296
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
CID 133267072
4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine
CID 91759839
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
3-(methanesulfonamido)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
CID 91789955

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 133266438) is N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1ccc(O[C@@H]2COCC[C@@H]2NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cn1.
What is the InChIKey of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is XONWWYMMAIDPAC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18N4O6S/c1-9-2-3-10(6-16-9)25-12-8-24-5-4-11(12)19-26(22,23)13-7-17-15(21)18-14(13)20/h2-3,6-7,11-12,19H,4-5,8H2,1H3,(H2,17,18,20,21)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 382.40 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 133266438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).