3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide

C11H18N2OS — CID 81489224

IUPAC3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)(C)CN)s1
InChIInChI=1S/C11H18N2OS/c1-8-4-5-9(15-8)6-13-10(14)11(2,3)7-12/h4-5H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyDFTYLQFVJIFQCH-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide

3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (PubChem CID 81489224) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
PubChem CID81489224
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)(C)CN)s1
InChIInChI=1S/C11H18N2OS/c1-8-4-5-9(15-8)6-13-10(14)11(2,3)7-12/h4-5H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyDFTYLQFVJIFQCH-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869
2-methyl-2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62846936
2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 80556800
3-amino-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119679292
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide
CID 76932961
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
CID 62056560
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (CID 81489224) is 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)(C)CN)s1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is DFTYLQFVJIFQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-4-5-9(15-8)6-13-10(14)11(2,3)7-12/h4-5H,6-7,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 81489224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).