5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione

C8H11N3O4S — CID 43980567

IUPAC5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O4S/c12-7-6(5-9-8(13)10-7)16(14,15)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12,13)
InChIKeyCWWPFVASAULHAT-UHFFFAOYSA-N
MW245.26 g/mol
LogP-1.15
Rot. Bonds2

About 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione

5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 43980567) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
PubChem CID43980567
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O4S/c12-7-6(5-9-8(13)10-7)16(14,15)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12,13)
InChIKeyCWWPFVASAULHAT-UHFFFAOYSA-N
XLogP-1.15
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione (CID 43980567) is 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione is O=c1[nH]cc(S(=O)(=O)N2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is CWWPFVASAULHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c12-7-6(5-9-8(13)10-7)16(14,15)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12,13).
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 245.26 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43980567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).