2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide

C10H15N3O3S — CID 82559310

IUPAC2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c11-9(14)6-13-3-2-12-10(13)5-8-1-4-17(15,16)7-8/h2-3,8H,1,4-7H2,(H2,11,14)
InChIKeyOHPITAOVIIRJOA-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.65
Rot. Bonds4

About 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide

2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide (PubChem CID 82559310) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide
PubChem CID82559310
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c11-9(14)6-13-3-2-12-10(13)5-8-1-4-17(15,16)7-8/h2-3,8H,1,4-7H2,(H2,11,14)
InChIKeyOHPITAOVIIRJOA-UHFFFAOYSA-N
XLogP-0.65
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetonitrile
CID 82561656
2-[1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 55039624
(2S)-2-[[5-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 9379788
3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
CID 56865181
3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146321
N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
CID 106569453
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147829
1-[[5-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 9379706
2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide
CID 82558466
[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149495
3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117146320

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide (CID 82559310) is 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide?
The InChIKey is OHPITAOVIIRJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-9(14)6-13-3-2-12-10(13)5-8-1-4-17(15,16)7-8/h2-3,8H,1,4-7H2,(H2,11,14).
What are the key properties of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide?
2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 82559310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).