3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

C11H17NOS — CID 1246126

IUPAC3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCc1cccs1
InChIInChI=1S/C11H17NOS/c1-11(2,3)7-10(13)12-8-9-5-4-6-14-9/h4-6H,7-8H2,1-3H3,(H,12,13)
InChIKeyHVCIORGTBOEWQU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.80
Rot. Bonds3

About 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 1246126) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID1246126
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCc1cccs1
InChIInChI=1S/C11H17NOS/c1-11(2,3)7-10(13)12-8-9-5-4-6-14-9/h4-6H,7-8H2,1-3H3,(H,12,13)
InChIKeyHVCIORGTBOEWQU-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 30717585
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
3-amino-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119679292
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 1246126) is 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is CC(C)(C)CC(=O)NCc1cccs1.
What is the InChIKey of 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is HVCIORGTBOEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,3)7-10(13)12-8-9-5-4-6-14-9/h4-6H,7-8H2,1-3H3,(H,12,13).
What are the key properties of 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 211.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 1246126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).