4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide

C13H20N2O2S — CID 113280867

IUPAC4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C13H20N2O2S/c1-15(7-4-11-3-2-10-18-11)12(16)13(14)5-8-17-9-6-13/h2-3,10H,4-9,14H2,1H3
InChIKeyDXDQFUWFOQZISF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.26
Rot. Bonds4

About 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide

4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide (PubChem CID 113280867) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
PubChem CID113280867
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C13H20N2O2S/c1-15(7-4-11-3-2-10-18-11)12(16)13(14)5-8-17-9-6-13/h2-3,10H,4-9,14H2,1H3
InChIKeyDXDQFUWFOQZISF-UHFFFAOYSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115294700
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
3-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 64892349
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880763
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79486277
4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 47718655
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
2-[methyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487976

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide (CID 113280867) is 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide is CN(CCc1cccs1)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
The InChIKey is DXDQFUWFOQZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(7-4-11-3-2-10-18-11)12(16)13(14)5-8-17-9-6-13/h2-3,10H,4-9,14H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 113280867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).