N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide

C9H14N2OS — CID 131159537

IUPACN-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)CN)s1
InChIInChI=1S/C9H14N2OS/c1-6(5-10)11-9(12)8-4-3-7(2)13-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyJCRHKJVFKCWVMJ-LURJTMIESA-N
MW198.29 g/mol
LogP1.13
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide

N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide (PubChem CID 131159537) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
PubChem CID131159537
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)CN)s1
InChIInChI=1S/C9H14N2OS/c1-6(5-10)11-9(12)8-4-3-7(2)13-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyJCRHKJVFKCWVMJ-LURJTMIESA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
CID 64997383
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 81486406
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119606869
N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide (CID 131159537) is N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@@H](C)CN)s1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is JCRHKJVFKCWVMJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(5-10)11-9(12)8-4-3-7(2)13-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 131159537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).