3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide

C12H26N2O3S — CID 106723535

IUPAC3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-5-7-14-11(15)6-8-13-9-10-18(16,17)12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyURIQKKWNSIUFLB-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.71
Rot. Bonds8

About 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide

3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide (PubChem CID 106723535) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
PubChem CID106723535
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-5-7-14-11(15)6-8-13-9-10-18(16,17)12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyURIQKKWNSIUFLB-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
3-(but-3-ynylamino)-N-propylpropanamide
CID 63656268
4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
CID 120562745
2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
CID 106723192
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide
CID 81418525
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide?
The IUPAC name of 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide (CID 106723535) is 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide?
The canonical SMILES for 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide is CCCNC(=O)CCNCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide?
The InChIKey is URIQKKWNSIUFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-5-7-14-11(15)6-8-13-9-10-18(16,17)12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide?
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide is sourced from PubChem (CID 106723535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).