3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide

C10H21N3O4S — CID 106111386

IUPAC3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCOC(CN)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-9(7-11)10(14)12-8-3-5-13(6-4-8)18(2,15)16/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyHKZBWXLCWKHVKX-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.50
Rot. Bonds5

About 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide

3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide (PubChem CID 106111386) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
PubChem CID106111386
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCOC(CN)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-9(7-11)10(14)12-8-3-5-13(6-4-8)18(2,15)16/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyHKZBWXLCWKHVKX-UHFFFAOYSA-N
XLogP-1.50
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
CID 47460723
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide
CID 106113351
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106114303
2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 79473115
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 167193473
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
CID 130277693
3-amino-N-(2,3-dimethylcyclopentyl)-2-methoxypropanamide
CID 106113007

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide (CID 106111386) is 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide is COC(CN)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is HKZBWXLCWKHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-17-9(7-11)10(14)12-8-3-5-13(6-4-8)18(2,15)16/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 279.36 g/mol, XLogP of -1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 106111386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).