N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide

C10H17N3O3S — CID 71981258

IUPACN-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)12-8(14)7-13-6-5-11-9(13)17(4,15)16/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyICZYTSDBCQXVFQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.20
Rot. Bonds3

About N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide

N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide (PubChem CID 71981258) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide
PubChem CID71981258
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)12-8(14)7-13-6-5-11-9(13)17(4,15)16/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyICZYTSDBCQXVFQ-UHFFFAOYSA-N
XLogP0.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide (CID 71981258) is N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide is CC(C)(C)NC(=O)Cn1ccnc1S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
The InChIKey is ICZYTSDBCQXVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,3)12-8(14)7-13-6-5-11-9(13)17(4,15)16/h5-6H,7H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide has a molecular weight of 259.33 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 71981258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).