2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

C11H19N3OS — CID 63939272

IUPAC2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-11(2,3)16-8-10(15)14(4)7-9-12-5-6-13-9/h5-6H,7-8H2,1-4H3,(H,12,13)
InChIKeyFFHCVFNWHOMYGK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.90
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (PubChem CID 63939272) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
PubChem CID63939272
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-11(2,3)16-8-10(15)14(4)7-9-12-5-6-13-9/h5-6H,7-8H2,1-4H3,(H,12,13)
InChIKeyFFHCVFNWHOMYGK-UHFFFAOYSA-N
XLogP1.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
CID 63939448
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 63939846
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940243
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63930411
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 63939068
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (CID 63939272) is 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is CN(Cc1ncc[nH]1)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is FFHCVFNWHOMYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)16-8-10(15)14(4)7-9-12-5-6-13-9/h5-6H,7-8H2,1-4H3,(H,12,13).
What are the key properties of 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 241.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 63939272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).