2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide

C14H22N2O2S — CID 120784326

IUPAC2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESCc1ccsc1CN(C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-10-5-8-19-12(10)9-16(2)14(17)13(15)11-3-6-18-7-4-11/h5,8,11,13H,3-4,6-7,9,15H2,1-2H3
InChIKeyWDPKKCNYVNJGKJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide

2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120784326) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID120784326
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESCc1ccsc1CN(C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-10-5-8-19-12(10)9-16(2)14(17)13(15)11-3-6-18-7-4-11/h5,8,11,13H,3-4,6-7,9,15H2,1-2H3
InChIKeyWDPKKCNYVNJGKJ-UHFFFAOYSA-N
XLogP1.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide (CID 120784326) is 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide is Cc1ccsc1CN(C)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is WDPKKCNYVNJGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-5-8-19-12(10)9-16(2)14(17)13(15)11-3-6-18-7-4-11/h5,8,11,13H,3-4,6-7,9,15H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120784326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).