3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide

C10H16N2OS — CID 115154152

IUPAC3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
SMILESCc1ccsc1N(C)C(=O)CC(C)N
InChIInChI=1S/C10H16N2OS/c1-7-4-5-14-10(7)12(3)9(13)6-8(2)11/h4-5,8H,6,11H2,1-3H3
InChIKeyOLOAWXNMYVFZOS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.76
Rot. Bonds3

About 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide

3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide (PubChem CID 115154152) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
PubChem CID115154152
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
SMILESCc1ccsc1N(C)C(=O)CC(C)N
InChIInChI=1S/C10H16N2OS/c1-7-4-5-14-10(7)12(3)9(13)6-8(2)11/h4-5,8H,6,11H2,1-3H3
InChIKeyOLOAWXNMYVFZOS-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
CID 115192593
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide
CID 115155685
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116610071
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171691
6-amino-2-methyl-1-(3-methylthiophen-2-yl)heptan-1-one
CID 116574175
3-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116607807
3-methyl-1-(3-methylthiophen-2-yl)hexan-1-one
CID 114968690
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide?
The IUPAC name of 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide (CID 115154152) is 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide?
The canonical SMILES for 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide is Cc1ccsc1N(C)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide?
The InChIKey is OLOAWXNMYVFZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-4-5-14-10(7)12(3)9(13)6-8(2)11/h4-5,8H,6,11H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide?
3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide has a molecular weight of 212.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 115154152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).