5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide

C15H33N3OS2 — CID 23209130

IUPAC5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide
SMILESCC(C)(S)CNCCN(CCCCC(N)=O)CC(C)(C)S
InChIInChI=1S/C15H33N3OS2/c1-14(2,20)11-17-8-10-18(12-15(3,4)21)9-6-5-7-13(16)19/h17,20-21H,5-12H2,1-4H3,(H2,16,19)
InChIKeyRMWIZZVXMAVPJJ-UHFFFAOYSA-N
MW335.58 g/mol
LogP1.95
Rot. Bonds12

About 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide

5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide (PubChem CID 23209130) has the molecular formula C15H33N3OS2 and a molecular weight of 335.58 g/mol. Its IUPAC name is 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide.

Molecular Properties

Compound Name5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide
PubChem CID23209130
Molecular FormulaC15H33N3OS2
Molecular Weight335.58 g/mol
Exact Mass335.21
IUPAC Name5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide
SMILESCC(C)(S)CNCCN(CCCCC(N)=O)CC(C)(C)S
InChIInChI=1S/C15H33N3OS2/c1-14(2,20)11-17-8-10-18(12-15(3,4)21)9-6-5-7-13(16)19/h17,20-21H,5-12H2,1-4H3,(H2,16,19)
InChIKeyRMWIZZVXMAVPJJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[bis(2-methyl-2-sulfanylpropyl)amino]ethylamino]pentanoic acid
CID 54327344
2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol
CID 10428904
5-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanamide
CID 106233905
5-methyl-5-sulfanylhexanamide
CID 174979963
5-[(2-methyl-2-tritylsulfanylpropyl)-[2-[(2-methyl-2-tritylsulfanylpropyl)amino]ethyl]amino]pentanoic acid
CID 54138276
5-[2-[di(propan-2-yl)amino]ethylamino]pentanamide
CID 114281581
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
2-methyl-1-(propylamino)propane-2-thiol
CID 118074642
4-(dibutylamino)butanamide
CID 57071614
2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
CID 62921718
4-[ethyl(pentyl)amino]butanamide
CID 57048694
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide?
The IUPAC name of 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide (CID 23209130) is 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide.
What is the SMILES notation for 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide?
The canonical SMILES for 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide is CC(C)(S)CNCCN(CCCCC(N)=O)CC(C)(C)S.
What is the InChIKey of 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide?
The InChIKey is RMWIZZVXMAVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3OS2/c1-14(2,20)11-17-8-10-18(12-15(3,4)21)9-6-5-7-13(16)19/h17,20-21H,5-12H2,1-4H3,(H2,16,19).
What are the key properties of 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide?
5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide has a molecular weight of 335.58 g/mol, XLogP of 1.95, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide is sourced from PubChem (CID 23209130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).