3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

C12H20N2OS — CID 60963185

IUPAC3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)N(C)C(=O)CC(C)N)s1
InChIInChI=1S/C12H20N2OS/c1-8(13)7-12(15)14(4)10(3)11-6-5-9(2)16-11/h5-6,8,10H,7,13H2,1-4H3
InChIKeyCKJIJIZTALPHIK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.31
Rot. Bonds4

About 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 60963185) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID60963185
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)N(C)C(=O)CC(C)N)s1
InChIInChI=1S/C12H20N2OS/c1-8(13)7-12(15)14(4)10(3)11-6-5-9(2)16-11/h5-6,8,10H,7,13H2,1-4H3
InChIKeyCKJIJIZTALPHIK-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-[(thiophen-2-yl)methyl]acetamide
CID 30617
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 60236671
3,3-dimethyl-N-(2-thienylmethyl)butanamide
CID 1246126
N-cyclohexyl-5-ethylthiophene-2-carboxamide
CID 1245810
1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
Icosa-5,8,11,14-tetraenoic acid (thiophen-2-ylmethyl)-amide
CID 10272277
(5Z,8Z,11Z,14Z)-N-(1-thiophen-2-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 10928080
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
CID 4535556

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (CID 60963185) is 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is Cc1ccc(C(C)N(C)C(=O)CC(C)N)s1.
What is the InChIKey of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is CKJIJIZTALPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(13)7-12(15)14(4)10(3)11-6-5-9(2)16-11/h5-6,8,10H,7,13H2,1-4H3.
What are the key properties of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.31, 4 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-[1-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 60963185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).