2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride

C10H17ClN2OS — CID 119280432

IUPAC2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
SMILESCc1ccsc1CNC(=O)C(C)(C)N.Cl
InChIInChI=1S/C10H16N2OS.ClH/c1-7-4-5-14-8(7)6-12-9(13)10(2,3)11;/h4-5H,6,11H2,1-3H3,(H,12,13);1H
InChIKeyRGTLDRLCVHAGNG-UHFFFAOYSA-N
MW248.78 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride

2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride (PubChem CID 119280432) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
PubChem CID119280432
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC Name2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
SMILESCc1ccsc1CNC(=O)C(C)(C)N.Cl
InChIInChI=1S/C10H16N2OS.ClH/c1-7-4-5-14-8(7)6-12-9(13)10(2,3)11;/h4-5H,6,11H2,1-3H3,(H,12,13);1H
InChIKeyRGTLDRLCVHAGNG-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 106151252
(2R)-3,3-dimethyl-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 113353255
methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate
CID 43725939
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
4-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958843
2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide
CID 166317088
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride (CID 119280432) is 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride is Cc1ccsc1CNC(=O)C(C)(C)N.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is RGTLDRLCVHAGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS.ClH/c1-7-4-5-14-8(7)6-12-9(13)10(2,3)11;/h4-5H,6,11H2,1-3H3,(H,12,13);1H.
What are the key properties of 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride?
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 248.78 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119280432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).