3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide

C11H18N2OS — CID 62668726

IUPAC3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(CN)C(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C11H18N2OS/c1-8(7-12)11(14)13(3)9(2)10-5-4-6-15-10/h4-6,8-9H,7,12H2,1-3H3
InChIKeyJJTAKFWDKSPPBR-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide

3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 62668726) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID62668726
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(CN)C(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C11H18N2OS/c1-8(7-12)11(14)13(3)9(2)10-5-4-6-15-10/h4-6,8-9H,7,12H2,1-3H3
InChIKeyJJTAKFWDKSPPBR-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide
CID 65227703
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
CID 56751582
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950
(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 78976302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide (CID 62668726) is 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide is CC(CN)C(=O)N(C)C(C)c1cccs1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is JJTAKFWDKSPPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(7-12)11(14)13(3)9(2)10-5-4-6-15-10/h4-6,8-9H,7,12H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide?
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 62668726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).