3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea

C10H18N2O3S — CID 47238302

IUPAC3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
SMILESCCN(C(=O)NC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-2-12(10(13)11-8-3-4-8)9-5-6-16(14,15)7-9/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyREASJOVFGFJNKM-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.37
Rot. Bonds3

About 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea

3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea (PubChem CID 47238302) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
PubChem CID47238302
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
SMILESCCN(C(=O)NC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-2-12(10(13)11-8-3-4-8)9-5-6-16(14,15)7-9/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyREASJOVFGFJNKM-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-tert-butyl-5-oxopyrrolidin-3-yl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108876202
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(3-methylbutyl)urea
CID 110299715
N-cycloheptyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-2,2-dimethylpropanediamide
CID 108965235
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915123
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 63374753
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113056079
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
CID 108866926
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108060

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea?
The IUPAC name of 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea (CID 47238302) is 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea.
What is the SMILES notation for 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea?
The canonical SMILES for 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea is CCN(C(=O)NC1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea?
The InChIKey is REASJOVFGFJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-12(10(13)11-8-3-4-8)9-5-6-16(14,15)7-9/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea?
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea has a molecular weight of 246.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea is sourced from PubChem (CID 47238302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).