1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide

C14H24N4O4S — CID 129425603

IUPAC1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H24N4O4S/c1-9(2)18-6-10(3)11(7-18)15-23(21,22)12-8-16(4)14(20)17(5)13(12)19/h8-11,15H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyRRHDKXDCTQNOFC-WDEREUQCSA-N
MW344.44 g/mol
LogP-0.91
Rot. Bonds4

About 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide

1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 129425603) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID129425603
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H24N4O4S/c1-9(2)18-6-10(3)11(7-18)15-23(21,22)12-8-16(4)14(20)17(5)13(12)19/h8-11,15H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyRRHDKXDCTQNOFC-WDEREUQCSA-N
XLogP-0.91
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide (CID 129425603) is 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide is CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is RRHDKXDCTQNOFC-WDEREUQCSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-9(2)18-6-10(3)11(7-18)15-23(21,22)12-8-16(4)14(20)17(5)13(12)19/h8-11,15H,6-7H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide?
1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of -0.91, 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-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 129425603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).