N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

C9H17N3OS — CID 134064990

IUPACN-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)CSC1=NCCN1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)12-7(13)6-14-8-10-4-5-11-8/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyYNGZGHKATHXKHO-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.59
Rot. Bonds2

About N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 134064990) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID134064990
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)CSC1=NCCN1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)12-7(13)6-14-8-10-4-5-11-8/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyYNGZGHKATHXKHO-UHFFFAOYSA-N
XLogP0.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (CID 134064990) is N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is CC(C)(C)NC(=O)CSC1=NCCN1.
What is the InChIKey of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is YNGZGHKATHXKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,3)12-7(13)6-14-8-10-4-5-11-8/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 215.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 134064990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).