N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide

C15H32N2OS2 — CID 134182160

IUPACN-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide
SMILESCCCCC(=O)NCCSCCSCCNC(C)(C)C
InChIInChI=1S/C15H32N2OS2/c1-5-6-7-14(18)16-8-10-19-12-13-20-11-9-17-15(2,3)4/h17H,5-13H2,1-4H3,(H,16,18)
InChIKeyZGJGZRQXCJKHOT-UHFFFAOYSA-N
MW320.57 g/mol
LogP3.15
Rot. Bonds12

About N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide

N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide (PubChem CID 134182160) has the molecular formula C15H32N2OS2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide
PubChem CID134182160
Molecular FormulaC15H32N2OS2
Molecular Weight320.57 g/mol
Exact Mass320.20
IUPAC NameN-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide
SMILESCCCCC(=O)NCCSCCSCCNC(C)(C)C
InChIInChI=1S/C15H32N2OS2/c1-5-6-7-14(18)16-8-10-19-12-13-20-11-9-17-15(2,3)4/h17H,5-13H2,1-4H3,(H,16,18)
InChIKeyZGJGZRQXCJKHOT-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 53.15
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

N-(2-butylsulfanylethyl)-2-methylpropan-2-amine
CID 61386344
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
4-chloro-N-(2-ethylsulfanylethyl)butanamide
CID 82109496
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-tetradecylpentanamide
CID 87172595
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
N-(2-bromoethyl)pentanamide
CID 43133425
2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765
ethane;N-propyl-6-propylsulfanylhexanamide
CID 145373155
N-(3-ethylsulfanylpropyl)octadecanamide
CID 140994811
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide?
The IUPAC name of N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide (CID 134182160) is N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide.
What is the SMILES notation for N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide?
The canonical SMILES for N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide is CCCCC(=O)NCCSCCSCCNC(C)(C)C.
What is the InChIKey of N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide?
The InChIKey is ZGJGZRQXCJKHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2OS2/c1-5-6-7-14(18)16-8-10-19-12-13-20-11-9-17-15(2,3)4/h17H,5-13H2,1-4H3,(H,16,18).
What are the key properties of N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide?
N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide has a molecular weight of 320.57 g/mol, XLogP of 3.15, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide is sourced from PubChem (CID 134182160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).