N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide

C13H28N2O4S — CID 166753111

IUPACN-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
SMILESCCC(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C13H28N2O4S/c1-5-12(4)14-7-9-19-8-6-10-20(17,18)15-13(16)11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeyFXWOFWXMUJTSRL-UHFFFAOYSA-N
MW308.44 g/mol
LogP0.88
Rot. Bonds11

About N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide

N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide (PubChem CID 166753111) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
PubChem CID166753111
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC NameN-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
SMILESCCC(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C13H28N2O4S/c1-5-12(4)14-7-9-19-8-6-10-20(17,18)15-13(16)11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeyFXWOFWXMUJTSRL-UHFFFAOYSA-N
XLogP0.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.88
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
2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 155402148
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide (CID 166753111) is N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide is CCC(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide?
The InChIKey is FXWOFWXMUJTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-5-12(4)14-7-9-19-8-6-10-20(17,18)15-13(16)11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide?
N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide has a molecular weight of 308.44 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide is sourced from PubChem (CID 166753111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).