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

C11H24N2O4S — CID 113136648

IUPAC3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCCCCN(CCC(=O)NCCOC)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-5-8-13(18(3,15)16)9-6-11(14)12-7-10-17-2/h4-10H2,1-3H3,(H,12,14)
InChIKeyJTGAEQAPPXDHNG-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.20
Rot. Bonds10

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

3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 113136648) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID113136648
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCCCCN(CCC(=O)NCCOC)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-5-8-13(18(3,15)16)9-6-11(14)12-7-10-17-2/h4-10H2,1-3H3,(H,12,14)
InChIKeyJTGAEQAPPXDHNG-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.20
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 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide (CID 113136648) is 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide is CCCCN(CCC(=O)NCCOC)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is JTGAEQAPPXDHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-5-8-13(18(3,15)16)9-6-11(14)12-7-10-17-2/h4-10H2,1-3H3,(H,12,14).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide?
3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 280.39 g/mol, XLogP of 0.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113136648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).