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

C13H17N3O5S — CID 47013196

IUPAC1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1
InChIInChI=1S/C13H17N3O5S/c1-8-5-6-10(21-8)9(2)14-22(19,20)11-7-15(3)13(18)16(4)12(11)17/h5-7,9,14H,1-4H3
InChIKeyBHHODKXVSTWRFJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP0.02
Rot. Bonds4

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

1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 47013196) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID47013196
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1
InChIInChI=1S/C13H17N3O5S/c1-8-5-6-10(21-8)9(2)14-22(19,20)11-7-15(3)13(18)16(4)12(11)17/h5-7,9,14H,1-4H3
InChIKeyBHHODKXVSTWRFJ-UHFFFAOYSA-N
XLogP0.02
TPSA103.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 51249055
N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 62094209
1,3-dimethyl-2,4-dioxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 24511010
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide
CID 113245393
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935018

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide (CID 47013196) is 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1.
What is the InChIKey of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is BHHODKXVSTWRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-8-5-6-10(21-8)9(2)14-22(19,20)11-7-15(3)13(18)16(4)12(11)17/h5-7,9,14H,1-4H3.
What are the key properties of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide?
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 327.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 47013196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).