3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride

C15H27Cl2N3O2S — CID 120502460

IUPAC3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCC(c1cccs1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H25N3O2S.2ClH/c1-11(12(2)16)15(19)17-10-13(14-4-3-9-21-14)18-5-7-20-8-6-18;;/h3-4,9,11-13H,5-8,10,16H2,1-2H3,(H,17,19);2*1H
InChIKeyDXKSZJGGHSJXHV-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride

3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride (PubChem CID 120502460) has the molecular formula C15H27Cl2N3O2S and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
PubChem CID120502460
Molecular FormulaC15H27Cl2N3O2S
Molecular Weight384.37 g/mol
Exact Mass383.12
IUPAC Name3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCC(c1cccs1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H25N3O2S.2ClH/c1-11(12(2)16)15(19)17-10-13(14-4-3-9-21-14)18-5-7-20-8-6-18;;/h3-4,9,11-13H,5-8,10,16H2,1-2H3,(H,17,19);2*1H
InChIKeyDXKSZJGGHSJXHV-UHFFFAOYSA-N
XLogP2.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide
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2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
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4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride (CID 120502460) is 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride is CC(N)C(C)C(=O)NCC(c1cccs1)N1CCOCC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
The InChIKey is DXKSZJGGHSJXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.2ClH/c1-11(12(2)16)15(19)17-10-13(14-4-3-9-21-14)18-5-7-20-8-6-18;;/h3-4,9,11-13H,5-8,10,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride has a molecular weight of 384.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride is sourced from PubChem (CID 120502460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).