N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride

C15H26ClN3O2S — CID 119659146

IUPACN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CN(C)C(=O)c1cccs1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-11(2)12(16)7-8-17(3)14(19)10-18(4)15(20)13-6-5-9-21-13;/h5-6,9,11-12H,7-8,10,16H2,1-4H3;1H
InChIKeyNKFRTZDJOMYMOQ-UHFFFAOYSA-N
MW347.91 g/mol
LogP2.07
Rot. Bonds7

About N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 119659146) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
PubChem CID119659146
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CN(C)C(=O)c1cccs1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-11(2)12(16)7-8-17(3)14(19)10-18(4)15(20)13-6-5-9-21-13;/h5-6,9,11-12H,7-8,10,16H2,1-4H3;1H
InChIKeyNKFRTZDJOMYMOQ-UHFFFAOYSA-N
XLogP2.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79291050
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 60829062
4-methylpentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704817
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119594587
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride (CID 119659146) is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CN(C)C(=O)c1cccs1.Cl.
What is the InChIKey of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is NKFRTZDJOMYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-11(2)12(16)7-8-17(3)14(19)10-18(4)15(20)13-6-5-9-21-13;/h5-6,9,11-12H,7-8,10,16H2,1-4H3;1H.
What are the key properties of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride?
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119659146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).