N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen

C13H30N2O4S — CID 166461440

IUPACN,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen
SMILESCC(C)NCCOCCCS(=O)(=O)N(C)C(=O)C(C)C.[H][H]
InChIInChI=1S/C13H28N2O4S.H2/c1-11(2)13(16)15(5)20(17,18)10-6-8-19-9-7-14-12(3)4;/h11-12,14H,6-10H2,1-5H3;1H
InChIKeyOCJFURHBVKENBQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.08
Rot. Bonds10

About N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen

N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen (PubChem CID 166461440) has the molecular formula C13H30N2O4S and a molecular weight of 310.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen
PubChem CID166461440
Molecular FormulaC13H30N2O4S
Molecular Weight310.46 g/mol
Exact Mass310.19
IUPAC NameN,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen
SMILESCC(C)NCCOCCCS(=O)(=O)N(C)C(=O)C(C)C.[H][H]
InChIInChI=1S/C13H28N2O4S.H2/c1-11(2)13(16)15(5)20(17,18)10-6-8-19-9-7-14-12(3)4;/h11-12,14H,6-10H2,1-5H3;1H
InChIKeyOCJFURHBVKENBQ-UHFFFAOYSA-N
XLogP1.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.08
H-Bond Donors ≤ 51
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]-4-(propanoylsulfamoyl)butanamide
CID 57740904
N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 59783181
N-[2-(2-ethoxyethoxy)ethyl]-3-(methylsulfamoyl)propanamide
CID 90428996
3-[2-(2,2-Dimethylpropanoylamino)ethoxy]propane-1-sulfonic acid
CID 138592787
(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
CID 141017699
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 155402148
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
CID 155405417
N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
CID 155455154
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]acetamide
CID 155455170

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen?
The IUPAC name of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen (CID 166461440) is N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen.
What is the SMILES notation for N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen?
The canonical SMILES for N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen is CC(C)NCCOCCCS(=O)(=O)N(C)C(=O)C(C)C.[H][H].
What is the InChIKey of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen?
The InChIKey is OCJFURHBVKENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S.H2/c1-11(2)13(16)15(5)20(17,18)10-6-8-19-9-7-14-12(3)4;/h11-12,14H,6-10H2,1-5H3;1H.
What are the key properties of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen?
N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen has a molecular weight of 310.46 g/mol, XLogP of 1.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen is sourced from PubChem (CID 166461440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).