5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

C11H16N4O4S — CID 133118862

IUPAC5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESN[C@@H]1CN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1C1CC1
InChIInChI=1S/C11H16N4O4S/c12-8-5-15(4-7(8)6-1-2-6)20(18,19)9-3-13-11(17)14-10(9)16/h3,6-8H,1-2,4-5,12H2,(H2,13,14,16,17)/t7-,8+/m0/s1
InChIKeyQJOWNQFJGCGVIT-JGVFFNPUSA-N
MW300.34 g/mol
LogP-1.58
Rot. Bonds3

About 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 133118862) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID133118862
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESN[C@@H]1CN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1C1CC1
InChIInChI=1S/C11H16N4O4S/c12-8-5-15(4-7(8)6-1-2-6)20(18,19)9-3-13-11(17)14-10(9)16/h3,6-8H,1-2,4-5,12H2,(H2,13,14,16,17)/t7-,8+/m0/s1
InChIKeyQJOWNQFJGCGVIT-JGVFFNPUSA-N
XLogP-1.58
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 133118862) is 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is N[C@@H]1CN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1C1CC1.
What is the InChIKey of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is QJOWNQFJGCGVIT-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16N4O4S/c12-8-5-15(4-7(8)6-1-2-6)20(18,19)9-3-13-11(17)14-10(9)16/h3,6-8H,1-2,4-5,12H2,(H2,13,14,16,17)/t7-,8+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 300.34 g/mol, XLogP of -1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 133118862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).