2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C13H21ClN2O2S — CID 120786149

IUPAC2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)s1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-9-2-3-11(18-9)8-15-13(16)12(14)10-4-6-17-7-5-10;/h2-3,10,12H,4-8,14H2,1H3,(H,15,16);1H
InChIKeyDFDQSDVUXZTZGD-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120786149) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120786149
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)s1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-9-2-3-11(18-9)8-15-13(16)12(14)10-4-6-17-7-5-10;/h2-3,10,12H,4-8,14H2,1H3,(H,15,16);1H
InChIKeyDFDQSDVUXZTZGD-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787921
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
ethyl 6-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate;hydrochloride
CID 120792633
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120786149) is 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cc1ccc(CNC(=O)C(N)C2CCOCC2)s1.Cl.
What is the InChIKey of 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is DFDQSDVUXZTZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-9-2-3-11(18-9)8-15-13(16)12(14)10-4-6-17-7-5-10;/h2-3,10,12H,4-8,14H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120786149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).