N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide

C10H22N2O4S — CID 113147465

IUPACN-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)NCCCOC)S(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-4-7-12(17(3,14)15)9-10(13)11-6-5-8-16-2/h4-9H2,1-3H3,(H,11,13)
InChIKeyJKZVLPDZIAOERJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.19
Rot. Bonds9

About N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide

N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide (PubChem CID 113147465) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide
PubChem CID113147465
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)NCCCOC)S(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-4-7-12(17(3,14)15)9-10(13)11-6-5-8-16-2/h4-9H2,1-3H3,(H,11,13)
InChIKeyJKZVLPDZIAOERJ-UHFFFAOYSA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
CID 113148250
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 52698039
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
CID 45372451
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
N-(3-methoxypropyl)-3-(propylamino)propanamide
CID 109011484
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
N-[2-(dimethylamino)ethyl]-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137638

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide (CID 113147465) is N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)NCCCOC)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The InChIKey is JKZVLPDZIAOERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-7-12(17(3,14)15)9-10(13)11-6-5-8-16-2/h4-9H2,1-3H3,(H,11,13).
What are the key properties of N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide?
N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide has a molecular weight of 266.36 g/mol, XLogP of -0.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 113147465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).