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

C11H18N2OS — CID 79797348

IUPAC2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-4-11(2,12)10(14)13(3)7-9-5-6-15-8-9/h5-6,8H,4,7,12H2,1-3H3
InChIKeyFQSDFYWWEGNKBA-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.83
Rot. Bonds4

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

2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide (PubChem CID 79797348) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
PubChem CID79797348
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-4-11(2,12)10(14)13(3)7-9-5-6-15-8-9/h5-6,8H,4,7,12H2,1-3H3
InChIKeyFQSDFYWWEGNKBA-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
2,2-diethyl-4-[methyl(thiophen-3-ylmethyl)amino]-4-oxobutanoic acid
CID 43527995
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide
CID 94082032
2-ethyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 79804142
2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 79804817
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide (CID 79797348) is 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide is CCC(C)(N)C(=O)N(C)Cc1ccsc1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide?
The InChIKey is FQSDFYWWEGNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-11(2,12)10(14)13(3)7-9-5-6-15-8-9/h5-6,8H,4,7,12H2,1-3H3.
What are the key properties of 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide?
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide is sourced from PubChem (CID 79797348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).