3-amino-2-methoxy-N-propylsulfonylpropanamide

C7H16N2O4S — CID 106114069

IUPAC3-amino-2-methoxy-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)NC(=O)C(CN)OC
InChIInChI=1S/C7H16N2O4S/c1-3-4-14(11,12)9-7(10)6(5-8)13-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyAVGVBOZSKQTNPK-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.18
Rot. Bonds6

About 3-amino-2-methoxy-N-propylsulfonylpropanamide

3-amino-2-methoxy-N-propylsulfonylpropanamide (PubChem CID 106114069) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-propylsulfonylpropanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-propylsulfonylpropanamide
PubChem CID106114069
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name3-amino-2-methoxy-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)NC(=O)C(CN)OC
InChIInChI=1S/C7H16N2O4S/c1-3-4-14(11,12)9-7(10)6(5-8)13-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyAVGVBOZSKQTNPK-UHFFFAOYSA-N
XLogP-1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-propylsulfonylpropanamide
CID 103307200
2-methoxy-3-(propylsulfonylamino)propanoic acid
CID 104936724
3-amino-2-methyl-N-propylsulfonylbutanamide
CID 103307653
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
CID 106113366
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106114110
3-amino-N-tert-butyl-2-methoxypropanamide
CID 106110957
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-propylsulfonylpropanamide?
The IUPAC name of 3-amino-2-methoxy-N-propylsulfonylpropanamide (CID 106114069) is 3-amino-2-methoxy-N-propylsulfonylpropanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-propylsulfonylpropanamide?
The canonical SMILES for 3-amino-2-methoxy-N-propylsulfonylpropanamide is CCCS(=O)(=O)NC(=O)C(CN)OC.
What is the InChIKey of 3-amino-2-methoxy-N-propylsulfonylpropanamide?
The InChIKey is AVGVBOZSKQTNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-3-4-14(11,12)9-7(10)6(5-8)13-2/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-2-methoxy-N-propylsulfonylpropanamide?
3-amino-2-methoxy-N-propylsulfonylpropanamide has a molecular weight of 224.28 g/mol, XLogP of -1.18, 6 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-propylsulfonylpropanamide is sourced from PubChem (CID 106114069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).