N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride

C12H21ClN2OS — CID 119606869

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC(C)(CN)C(C)C)s1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-8(2)12(4,7-13)14-11(15)10-6-5-9(3)16-10;/h5-6,8H,7,13H2,1-4H3,(H,14,15);1H
InChIKeyXCPFDRAYCFEDKG-UHFFFAOYSA-N
MW276.83 g/mol
LogP2.58
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 119606869) has the molecular formula C12H21ClN2OS and a molecular weight of 276.83 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
PubChem CID119606869
Molecular FormulaC12H21ClN2OS
Molecular Weight276.83 g/mol
Exact Mass276.11
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC(C)(CN)C(C)C)s1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-8(2)12(4,7-13)14-11(15)10-6-5-9(3)16-10;/h5-6,8H,7,13H2,1-4H3,(H,14,15);1H
InChIKeyXCPFDRAYCFEDKG-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 81486406
N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119608372
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537
2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119608033
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119608616
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 81485681
N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 115310439
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119606927
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119606629

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride (CID 119606869) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride is Cc1ccc(C(=O)NC(C)(CN)C(C)C)s1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is XCPFDRAYCFEDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.ClH/c1-8(2)12(4,7-13)14-11(15)10-6-5-9(3)16-10;/h5-6,8H,7,13H2,1-4H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 276.83 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119606869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).