N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide

C11H24N2O5S — CID 103877484

IUPACN-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCCC(O)COC
InChIInChI=1S/C11H24N2O5S/c1-4-7-19(16,17)13-9(2)11(15)12-6-5-10(14)8-18-3/h9-10,13-14H,4-8H2,1-3H3,(H,12,15)
InChIKeyBMTWEWCZDWNJMB-UHFFFAOYSA-N
MW296.39 g/mol
LogP-0.78
Rot. Bonds10

About N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide

N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide (PubChem CID 103877484) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
PubChem CID103877484
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCCC(O)COC
InChIInChI=1S/C11H24N2O5S/c1-4-7-19(16,17)13-9(2)11(15)12-6-5-10(14)8-18-3/h9-10,13-14H,4-8H2,1-3H3,(H,12,15)
InChIKeyBMTWEWCZDWNJMB-UHFFFAOYSA-N
XLogP-0.78
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
CID 79675663
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
2-(2-chloroethylsulfonylamino)-N-propylpropanamide
CID 107651325
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
CID 114163574
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567
2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43465477

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide (CID 103877484) is N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide is CCCS(=O)(=O)NC(C)C(=O)NCCC(O)COC.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide?
The InChIKey is BMTWEWCZDWNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5S/c1-4-7-19(16,17)13-9(2)11(15)12-6-5-10(14)8-18-3/h9-10,13-14H,4-8H2,1-3H3,(H,12,15).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide?
N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide has a molecular weight of 296.39 g/mol, XLogP of -0.78, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 103877484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).