2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide

C11H17N3O3S2 — CID 115649699

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCCc1ncc[nH]1
InChIInChI=1S/C11H17N3O3S2/c15-11(14-3-1-10-12-4-5-13-10)7-18-9-2-6-19(16,17)8-9/h4-5,9H,1-3,6-8H2,(H,12,13)(H,14,15)
InChIKeyUHLRNXLAZMRZGB-UHFFFAOYSA-N
MW303.41 g/mol
LogP-0.01
Rot. Bonds6

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (PubChem CID 115649699) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
PubChem CID115649699
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCCc1ncc[nH]1
InChIInChI=1S/C11H17N3O3S2/c15-11(14-3-1-10-12-4-5-13-10)7-18-9-2-6-19(16,17)8-9/h4-5,9H,1-3,6-8H2,(H,12,13)(H,14,15)
InChIKeyUHLRNXLAZMRZGB-UHFFFAOYSA-N
XLogP-0.01
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63930411
N-[2-(4-chlorophenoxy)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 51923904
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
N-[(4-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 78814527
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 154885465
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 98720693
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411
4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
CID 63651416
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 113269028

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (CID 115649699) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is O=C(CSC1CCS(=O)(=O)C1)NCCc1ncc[nH]1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The InChIKey is UHLRNXLAZMRZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c15-11(14-3-1-10-12-4-5-13-10)7-18-9-2-6-19(16,17)8-9/h4-5,9H,1-3,6-8H2,(H,12,13)(H,14,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 115649699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).