3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide

C11H24N2OS2 — CID 58811044

IUPAC3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide
SMILESCCCCN(CCS)CCC(=O)NCCS
InChIInChI=1S/C11H24N2OS2/c1-2-3-6-13(8-10-16)7-4-11(14)12-5-9-15/h15-16H,2-10H2,1H3,(H,12,14)
InChIKeyDJLRBDICVPTOEL-UHFFFAOYSA-N
MW264.46 g/mol
LogP1.45
Rot. Bonds10

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

3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide (PubChem CID 58811044) has the molecular formula C11H24N2OS2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide
PubChem CID58811044
Molecular FormulaC11H24N2OS2
Molecular Weight264.46 g/mol
Exact Mass264.13
IUPAC Name3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide
SMILESCCCCN(CCS)CCC(=O)NCCS
InChIInChI=1S/C11H24N2OS2/c1-2-3-6-13(8-10-16)7-4-11(14)12-5-9-15/h15-16H,2-10H2,1H3,(H,12,14)
InChIKeyDJLRBDICVPTOEL-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 100944879
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N-(2-acetamidoethyl)-3-[[3-(2-acetamidoethylamino)-3-oxopropyl]-(2-sulfanylethyl)amino]propanamide
CID 58991254
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
N-(2-sulfanylethyl)octanamide
CID 521749
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide (CID 58811044) is 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide is CCCCN(CCS)CCC(=O)NCCS.
What is the InChIKey of 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide?
The InChIKey is DJLRBDICVPTOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS2/c1-2-3-6-13(8-10-16)7-4-11(14)12-5-9-15/h15-16H,2-10H2,1H3,(H,12,14).
What are the key properties of 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide?
3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide has a molecular weight of 264.46 g/mol, XLogP of 1.45, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 58811044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).