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

C11H20N2O3S — CID 139000231

IUPAC1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-2-13(7-9-3-4-9)11(14)12-10-5-6-17(15,16)8-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyYXCLXAPQHDKLSJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.62
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea (PubChem CID 139000231) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea
PubChem CID139000231
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-2-13(7-9-3-4-9)11(14)12-10-5-6-17(15,16)8-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyYXCLXAPQHDKLSJ-UHFFFAOYSA-N
XLogP0.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)carbamoyl-ethylamino]propanoic acid
CID 61183235
3-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-1-prop-2-ynylurea
CID 94594481
3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
CID 7361259
1-N-(1,1-dioxothiolan-3-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149217
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302
1-cycloheptyl-3-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47237189

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea (CID 139000231) is 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea is CCN(CC1CC1)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea?
The InChIKey is YXCLXAPQHDKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-13(7-9-3-4-9)11(14)12-10-5-6-17(15,16)8-10/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea?
1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea has a molecular weight of 260.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea is sourced from PubChem (CID 139000231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).