2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide

C13H27N3O4S — CID 61248281

IUPAC2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
SMILESCC(C)(CNC(=O)C(N)CCS(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C13H27N3O4S/c1-13(2,16-5-7-20-8-6-16)10-15-12(17)11(14)4-9-21(3,18)19/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyMRARATWLOBOVDV-UHFFFAOYSA-N
MW321.44 g/mol
LogP-1.02
Rot. Bonds7

About 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide

2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide (PubChem CID 61248281) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
PubChem CID61248281
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Name2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
SMILESCC(C)(CNC(=O)C(N)CCS(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C13H27N3O4S/c1-13(2,16-5-7-20-8-6-16)10-15-12(17)11(14)4-9-21(3,18)19/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyMRARATWLOBOVDV-UHFFFAOYSA-N
XLogP-1.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 107471820
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
CID 78907145
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
CID 106247844
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55597433
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110913680
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide (CID 61248281) is 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide is CC(C)(CNC(=O)C(N)CCS(C)(=O)=O)N1CCOCC1.
What is the InChIKey of 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide?
The InChIKey is MRARATWLOBOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-13(2,16-5-7-20-8-6-16)10-15-12(17)11(14)4-9-21(3,18)19/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide has a molecular weight of 321.44 g/mol, XLogP of -1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 61248281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).