1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea

C11H14N2O4S — CID 102566980

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O4S/c14-10-4-2-1-3-9(10)13-11(15)12-8-5-6-18(16,17)7-8/h1-4,8,14H,5-7H2,(H2,12,13,15)
InChIKeyNQAHBQLQIPCNLD-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.70
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea

1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea (PubChem CID 102566980) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
PubChem CID102566980
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O4S/c14-10-4-2-1-3-9(10)13-11(15)12-8-5-6-18(16,17)7-8/h1-4,8,14H,5-7H2,(H2,12,13,15)
InChIKeyNQAHBQLQIPCNLD-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoic acid
CID 61182882
methyl 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoate
CID 71691549
1-(2,3-dichlorophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 110706193
1-(3-bromo-2-methylphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 124606142
1-(1,1-dioxothiolan-3-yl)-3-[2-[(1,1-dioxothiolan-3-yl)carbamothioylamino]phenyl]thiourea
CID 102566913
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-5-nitrophenyl)urea
CID 6598448
2-[(1,1-dioxothian-3-yl)carbamoylamino]benzoic acid
CID 63923401
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
1-(4-bromophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47191942

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea (CID 102566980) is 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea is O=C(Nc1ccccc1O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea?
The InChIKey is NQAHBQLQIPCNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-10-4-2-1-3-9(10)13-11(15)12-8-5-6-18(16,17)7-8/h1-4,8,14H,5-7H2,(H2,12,13,15).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea?
1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea has a molecular weight of 270.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 102566980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).