1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea

C14H18N2O3S — CID 47127977

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
SMILESO=C(NC1CCS(=O)(=O)C1)NC1CCc2ccccc21
InChIInChI=1S/C14H18N2O3S/c17-14(15-11-7-8-20(18,19)9-11)16-13-6-5-10-3-1-2-4-12(10)13/h1-4,11,13H,5-9H2,(H2,15,16,17)
InChIKeyLFUSNWZRDVGGHZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.16
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea

1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea (PubChem CID 47127977) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
PubChem CID47127977
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
SMILESO=C(NC1CCS(=O)(=O)C1)NC1CCc2ccccc21
InChIInChI=1S/C14H18N2O3S/c17-14(15-11-7-8-20(18,19)9-11)16-13-6-5-10-3-1-2-4-12(10)13/h1-4,11,13H,5-9H2,(H2,15,16,17)
InChIKeyLFUSNWZRDVGGHZ-UHFFFAOYSA-N
XLogP1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 94148995
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94172015
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
CID 129394390
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520467
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 54915639
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210774
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
CID 102566980

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea (CID 47127977) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea is O=C(NC1CCS(=O)(=O)C1)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea?
The InChIKey is LFUSNWZRDVGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(15-11-7-8-20(18,19)9-11)16-13-6-5-10-3-1-2-4-12(10)13/h1-4,11,13H,5-9H2,(H2,15,16,17).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea has a molecular weight of 294.38 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea is sourced from PubChem (CID 47127977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).