4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

C15H24N2O3S — CID 115439199

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-19-9-6-17(11-13-3-2-10-21-13)14(18)15(12-16)4-7-20-8-5-15/h2-3,10H,4-9,11-12,16H2,1H3
InChIKeyCLSKLHULEOTMCY-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.48
Rot. Bonds7

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (PubChem CID 115439199) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
PubChem CID115439199
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-19-9-6-17(11-13-3-2-10-21-13)14(18)15(12-16)4-7-20-8-5-15/h2-3,10H,4-9,11-12,16H2,1H3
InChIKeyCLSKLHULEOTMCY-UHFFFAOYSA-N
XLogP1.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66249657
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
2-amino-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 64823784
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 47718655
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 61112230
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (CID 115439199) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is COCCN(Cc1cccs1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is CLSKLHULEOTMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-19-9-6-17(11-13-3-2-10-21-13)14(18)15(12-16)4-7-20-8-5-15/h2-3,10H,4-9,11-12,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 312.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 115439199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).