4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide

C15H25N3O2S — CID 81084360

IUPAC4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide
SMILESCC(CN)CC(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H25N3O2S/c1-12(10-16)9-15(19)17-11-13(14-3-2-8-21-14)18-4-6-20-7-5-18/h2-3,8,12-13H,4-7,9-11,16H2,1H3,(H,17,19)
InChIKeyIIAUJFFRMLVRDL-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.22
Rot. Bonds7

About 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide

4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide (PubChem CID 81084360) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide
PubChem CID81084360
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide
SMILESCC(CN)CC(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H25N3O2S/c1-12(10-16)9-15(19)17-11-13(14-3-2-8-21-14)18-4-6-20-7-5-18/h2-3,8,12-13H,4-7,9-11,16H2,1H3,(H,17,19)
InChIKeyIIAUJFFRMLVRDL-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 18148622
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 37099503
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide (CID 81084360) is 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide is CC(CN)CC(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide?
The InChIKey is IIAUJFFRMLVRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(10-16)9-15(19)17-11-13(14-3-2-8-21-14)18-4-6-20-7-5-18/h2-3,8,12-13H,4-7,9-11,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide?
4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide has a molecular weight of 311.45 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 81084360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).