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

C11H14N2O3S — CID 2831211

IUPAC1-(1,1-dioxothiolan-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O3S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-17(15,16)8-10/h1-5,10H,6-8H2,(H2,12,13,14)
InChIKeyYPZANXMTGWZCDC-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.00
Rot. Bonds2

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

1-(1,1-dioxothiolan-3-yl)-3-phenylurea (PubChem CID 2831211) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-phenylurea
PubChem CID2831211
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O3S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-17(15,16)8-10/h1-5,10H,6-8H2,(H2,12,13,14)
InChIKeyYPZANXMTGWZCDC-UHFFFAOYSA-N
XLogP1.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
4-[(Cyclopentylcarbamoyl)amino]benzenesulfonamide
CID 27870443
1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea
CID 2897589
1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-methylphenyl)urea
CID 3152354
N-phenylthiomorpholine-4-carboxamide
CID 831798
1-(3-Chlorophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 2963356
1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea
CID 2963335
1-(3,4-Dichlorophenyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3157064
N-(1,1-dioxothiolan-3-yl)-N-butyl(phenylamino)carboxamide
CID 3772838
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea
CID 3152349
1-(3-(Dimethylamino)phenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2906251
N-[2-(tert-butylthio)ethyl]-N'-phenylurea
CID 2264394

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-phenylurea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-phenylurea (CID 2831211) is 1-(1,1-dioxothiolan-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-phenylurea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-phenylurea?
The InChIKey is YPZANXMTGWZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-17(15,16)8-10/h1-5,10H,6-8H2,(H2,12,13,14).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-phenylurea?
1-(1,1-dioxothiolan-3-yl)-3-phenylurea has a molecular weight of 254.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-phenylurea is sourced from PubChem (CID 2831211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).