N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride

C10H16ClN3O2S — CID 120506210

IUPACN-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CNC(=O)c1cccs1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-7(5-11)13-9(14)6-12-10(15)8-3-2-4-16-8;/h2-4,7H,5-6,11H2,1H3,(H,12,15)(H,13,14);1H/t7-;/m0./s1
InChIKeyLKYHVNVBIRGUNQ-FJXQXJEOSA-N
MW277.78 g/mol
LogP0.36
Rot. Bonds5

About N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride

N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120506210) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120506210
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CNC(=O)c1cccs1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-7(5-11)13-9(14)6-12-10(15)8-3-2-4-16-8;/h2-4,7H,5-6,11H2,1H3,(H,12,15)(H,13,14);1H/t7-;/m0./s1
InChIKeyLKYHVNVBIRGUNQ-FJXQXJEOSA-N
XLogP0.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 120507248
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 119599344
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18162547
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 103759054
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112795550
N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride (CID 120506210) is N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)CNC(=O)c1cccs1.Cl.
What is the InChIKey of N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is LKYHVNVBIRGUNQ-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H15N3O2S.ClH/c1-7(5-11)13-9(14)6-12-10(15)8-3-2-4-16-8;/h2-4,7H,5-6,11H2,1H3,(H,12,15)(H,13,14);1H/t7-;/m0./s1.
What are the key properties of N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120506210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).