4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide

C12H25N3OS — CID 66427407

IUPAC4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCSCC1C
InChIInChI=1S/C12H25N3OS/c1-3-4-14-12(16)7-11(8-13)15-5-6-17-9-10(15)2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyYSLHNVYTWCZZBV-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.67
Rot. Bonds6

About 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide

4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide (PubChem CID 66427407) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
PubChem CID66427407
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCSCC1C
InChIInChI=1S/C12H25N3OS/c1-3-4-14-12(16)7-11(8-13)15-5-6-17-9-10(15)2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyYSLHNVYTWCZZBV-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
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
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
CID 66428466
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide (CID 66427407) is 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCSCC1C.
What is the InChIKey of 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide?
The InChIKey is YSLHNVYTWCZZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-3-4-14-12(16)7-11(8-13)15-5-6-17-9-10(15)2/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide?
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide has a molecular weight of 259.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide is sourced from PubChem (CID 66427407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).