3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea

C14H24N2O4S — CID 108915499

IUPAC3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)N/C=C(\C)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O4S/c1-11(12-3-4-12)9-15-14(17)16(6-7-20-2)13-5-8-21(18,19)10-13/h9,12-13H,3-8,10H2,1-2H3,(H,15,17)/b11-9+
InChIKeyGMKIPQXVXZTVFQ-PKNBQFBNSA-N
MW316.42 g/mol
LogP1.15
Rot. Bonds6

About 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea

3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea (PubChem CID 108915499) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
PubChem CID108915499
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)N/C=C(\C)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O4S/c1-11(12-3-4-12)9-15-14(17)16(6-7-20-2)13-5-8-21(18,19)10-13/h9,12-13H,3-8,10H2,1-2H3,(H,15,17)/b11-9+
InChIKeyGMKIPQXVXZTVFQ-PKNBQFBNSA-N
XLogP1.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea with MolForge

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Related Compounds

3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108915513
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
3-[(E)-2-(3-bromophenyl)ethenyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
CID 108907002
1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-(2-methoxyethyl)urea
CID 108904394
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea
CID 108887865
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
3-(4-chlorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-methoxyethyl)urea
CID 7222566
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea (CID 108915499) is 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea is COCCN(C(=O)N/C=C(\C)C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea?
The InChIKey is GMKIPQXVXZTVFQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11(12-3-4-12)9-15-14(17)16(6-7-20-2)13-5-8-21(18,19)10-13/h9,12-13H,3-8,10H2,1-2H3,(H,15,17)/b11-9+.
What are the key properties of 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea?
3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea has a molecular weight of 316.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 108915499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).