1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea

C11H14N2O4S — CID 2831180

IUPAC1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H14N2O4S/c14-10-7-18(16,17)6-9(10)13-11(15)12-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H2,12,13,15)
InChIKeyOJCUILNGXCCKAX-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.03
Rot. Bonds2

About 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea

1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea (PubChem CID 2831180) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
PubChem CID2831180
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H14N2O4S/c14-10-7-18(16,17)6-9(10)13-11(15)12-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H2,12,13,15)
InChIKeyOJCUILNGXCCKAX-UHFFFAOYSA-N
XLogP-0.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
The IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea (CID 2831180) is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
The canonical SMILES for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CS(=O)(=O)CC1O.
What is the InChIKey of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
The InChIKey is OJCUILNGXCCKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-10-7-18(16,17)6-9(10)13-11(15)12-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H2,12,13,15).
What are the key properties of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea has a molecular weight of 270.31 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea is sourced from PubChem (CID 2831180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).