2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one

C10H16N2O3S — CID 106952855

IUPAC2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C2CCS(=O)(=O)C2)NC1=O
InChIInChI=1S/C10H16N2O3S/c1-2-3-8-10(13)12-9(11-8)7-4-5-16(14,15)6-7/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyLWSHEFYMVOGCAN-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.12
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one

2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 106952855) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID106952855
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C2CCS(=O)(=O)C2)NC1=O
InChIInChI=1S/C10H16N2O3S/c1-2-3-8-10(13)12-9(11-8)7-4-5-16(14,15)6-7/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyLWSHEFYMVOGCAN-UHFFFAOYSA-N
XLogP0.12
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952933
2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one
CID 106952812
1,1-dioxo-3-propylthian-4-amine
CID 83484055
2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952802
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
CID 115338662
3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336186
[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 115046099
3-(4-chloro-5-iodo-6-propylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336183
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one
CID 83253717
2-(1,1-dioxothiolan-3-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 113289855
5-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7131544
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one (CID 106952855) is 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(C2CCS(=O)(=O)C2)NC1=O.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is LWSHEFYMVOGCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-3-8-10(13)12-9(11-8)7-4-5-16(14,15)6-7/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 244.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).