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

C12H20N2OS — CID 81486406

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(CN)C(C)C)s1
InChIInChI=1S/C12H20N2OS/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)
InChIKeyNDJDDPCTMMDWHZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.16
Rot. Bonds4

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

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 81486406) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID81486406
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(CN)C(C)C)s1
InChIInChI=1S/C12H20N2OS/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)
InChIKeyNDJDDPCTMMDWHZ-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.16
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;hydrochloride
CID 119606869
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537
N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119608372
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
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)-5-chloro-2-methylbenzamide
CID 82882950
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119608083
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide (CID 81486406) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(C)(CN)C(C)C)s1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is NDJDDPCTMMDWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/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).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 81486406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).