1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea

C12H22N2O5S — CID 108887865

IUPAC1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea
SMILESCOCCN(C(=O)NC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S/c1-18-7-5-14(10-4-8-20(16,17)9-10)12(15)13-11-3-2-6-19-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyNZVWXCWJKABSHZ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.03
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea

1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea (PubChem CID 108887865) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea
PubChem CID108887865
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea
SMILESCOCCN(C(=O)NC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S/c1-18-7-5-14(10-4-8-20(16,17)9-10)12(15)13-11-3-2-6-19-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyNZVWXCWJKABSHZ-UHFFFAOYSA-N
XLogP-0.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
3-[(E)-2-cyclopropylprop-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
CID 108915499
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
3-(4-chlorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-methoxyethyl)urea
CID 7222566
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
CID 108894182
3-(1,5-dimethylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
CID 108813418
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62727218
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
N'-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-N'-(2-methoxyethyl)oxamide
CID 108527246

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea (CID 108887865) is 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea is COCCN(C(=O)NC1CCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea?
The InChIKey is NZVWXCWJKABSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-18-7-5-14(10-4-8-20(16,17)9-10)12(15)13-11-3-2-6-19-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea?
1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea has a molecular weight of 306.38 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 108887865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).