2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide

C12H26N2O4S — CID 155402148

IUPAC2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
SMILESCC(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-10(2)12(15)14-19(16,17)9-5-7-18-8-6-13-11(3)4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyUOKVFOXMGGQYKA-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.49
Rot. Bonds10

About 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide

2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide (PubChem CID 155402148) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
PubChem CID155402148
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
SMILESCC(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-10(2)12(15)14-19(16,17)9-5-7-18-8-6-13-11(3)4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyUOKVFOXMGGQYKA-UHFFFAOYSA-N
XLogP0.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide
CID 54324097
3-(propanoylsulfamoyl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 57740859
N-[2-(2-ethoxyethoxy)ethyl]-3-(methylsulfamoyl)propanamide
CID 90428996
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
CID 155405417
2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 155448937
N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
CID 155455154
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]acetamide
CID 155455170
N,2-dimethyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]propanamide
CID 155455470
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide;molecular hydrogen
CID 155707478
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
CID 155707479
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen
CID 155750770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide (CID 155402148) is 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide is CC(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The InChIKey is UOKVFOXMGGQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-10(2)12(15)14-19(16,17)9-5-7-18-8-6-13-11(3)4/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide has a molecular weight of 294.42 g/mol, XLogP of 0.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide is sourced from PubChem (CID 155402148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).