N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride

C11H18Cl2N2OS — CID 119522559

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCc1ccc(Cl)s1.Cl
InChIInChI=1S/C11H17ClN2OS.ClH/c1-11(2,7-13)14-10(15)6-4-8-3-5-9(12)16-8;/h3,5H,4,6-7,13H2,1-2H3,(H,14,15);1H
InChIKeyPFROHABVYYUAQY-UHFFFAOYSA-N
MW297.25 g/mol
LogP2.61
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride (PubChem CID 119522559) has the molecular formula C11H18Cl2N2OS and a molecular weight of 297.25 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
PubChem CID119522559
Molecular FormulaC11H18Cl2N2OS
Molecular Weight297.25 g/mol
Exact Mass296.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCc1ccc(Cl)s1.Cl
InChIInChI=1S/C11H17ClN2OS.ClH/c1-11(2,7-13)14-10(15)6-4-8-3-5-9(12)16-8;/h3,5H,4,6-7,13H2,1-2H3,(H,14,15);1H
InChIKeyPFROHABVYYUAQY-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
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N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
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N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride (CID 119522559) is N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride is CC(C)(CN)NC(=O)CCc1ccc(Cl)s1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The InChIKey is PFROHABVYYUAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS.ClH/c1-11(2,7-13)14-10(15)6-4-8-3-5-9(12)16-8;/h3,5H,4,6-7,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride has a molecular weight of 297.25 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119522559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).