4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide

C13H27N3OS — CID 66427409

IUPAC4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CC(C)SC(C)C1
InChIInChI=1S/C13H27N3OS/c1-4-5-15-13(17)6-12(7-14)16-8-10(2)18-11(3)9-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyGBITXWSJZMVALM-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.06
Rot. Bonds6

About 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide

4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide (PubChem CID 66427409) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
PubChem CID66427409
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC Name4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CC(C)SC(C)C1
InChIInChI=1S/C13H27N3OS/c1-4-5-15-13(17)6-12(7-14)16-8-10(2)18-11(3)9-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyGBITXWSJZMVALM-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
CID 66426549
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
CID 66429305
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide (CID 66427409) is 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CC(C)SC(C)C1.
What is the InChIKey of 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide?
The InChIKey is GBITXWSJZMVALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-4-5-15-13(17)6-12(7-14)16-8-10(2)18-11(3)9-16/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide?
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide has a molecular weight of 273.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide is sourced from PubChem (CID 66427409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).