N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide

C10H22N2O4S — CID 113135860

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

About N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide

N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide (PubChem CID 113135860) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide
PubChem CID113135860
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)NCCOC)S(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-4-7-12(17(3,14)15)8-5-10(13)11-6-9-16-2/h4-9H2,1-3H3,(H,11,13)
InChIKeyATJVDNGKHKSRFH-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide (CID 113135860) is N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide is CCCN(CCC(=O)NCCOC)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The InChIKey is ATJVDNGKHKSRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-7-12(17(3,14)15)8-5-10(13)11-6-9-16-2/h4-9H2,1-3H3,(H,11,13).
What are the key properties of N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide?
N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide 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-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide is sourced from PubChem (CID 113135860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).