N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide

C12H19NOS — CID 121446738

IUPACN,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C12H19NOS/c1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h6-8H,5,9H2,1-4H3
InChIKeySZLVXBHXCXQAMR-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.14
Rot. Bonds4

About N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide

N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 121446738) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID121446738
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C12H19NOS/c1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h6-8H,5,9H2,1-4H3
InChIKeySZLVXBHXCXQAMR-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
N-[(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 2453059
N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 60236671
3,3-dimethyl-N-(2-thienylmethyl)butanamide
CID 1246126
2-Sulfanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 233540
Cyto9G3
CID 2732031
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
Icosa-5,8,11,14-tetraenoic acid (thiophen-2-ylmethyl)-amide
CID 10272277
1-Methyl-cyclohexanecarboxylic acid methyl-thiophen-2-ylmethyl-amide
CID 57576921
N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 121446760
N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide
CID 121446771
2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide
CID 2543182

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 121446738) is N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide is CCC(C)(C)C(=O)N(C)Cc1cccs1.
What is the InChIKey of N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is SZLVXBHXCXQAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h6-8H,5,9H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 225.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 121446738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).