3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride

C11H19ClN2OS — CID 119289693

IUPAC3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)N(Cc1cccs1)C(=O)CCN.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-9(2)13(11(14)5-6-12)8-10-4-3-7-15-10;/h3-4,7,9H,5-6,8,12H2,1-2H3;1H
InChIKeyAWOZVJJNYDECIM-UHFFFAOYSA-N
MW262.81 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride

3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119289693) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
PubChem CID119289693
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC Name3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)N(Cc1cccs1)C(=O)CCN.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-9(2)13(11(14)5-6-12)8-10-4-3-7-15-10;/h3-4,7,9H,5-6,8,12H2,1-2H3;1H
InChIKeyAWOZVJJNYDECIM-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 65228797
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119723936
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
CID 43573458
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride (CID 119289693) is 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride is CC(C)N(Cc1cccs1)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is AWOZVJJNYDECIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.ClH/c1-9(2)13(11(14)5-6-12)8-10-4-3-7-15-10;/h3-4,7,9H,5-6,8,12H2,1-2H3;1H.
What are the key properties of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119289693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).