N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C10H17N3O5S — CID 93084014

IUPACN-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O5S/c1-4-7(6-14)11-19(17,18)8-5-12(2)10(16)13(3)9(8)15/h5,7,11,14H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyOLELEWKXCIYCKK-SSDOTTSWSA-N
MW291.33 g/mol
LogP-1.87
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 93084014) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID93084014
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O5S/c1-4-7(6-14)11-19(17,18)8-5-12(2)10(16)13(3)9(8)15/h5,7,11,14H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyOLELEWKXCIYCKK-SSDOTTSWSA-N
XLogP-1.87
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide with MolForge

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Related Compounds

methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624369
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]pentanoic acid
CID 104934852
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935018
5-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28724674
N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 62094209
1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide
CID 113245393
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26201902
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460
3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107213382
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 51307194

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 93084014) is N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CC[C@H](CO)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is OLELEWKXCIYCKK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-4-7(6-14)11-19(17,18)8-5-12(2)10(16)13(3)9(8)15/h5,7,11,14H,4,6H2,1-3H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of -1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 93084014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).