N-[2-(hexyldisulfanyl)ethyl]butanamide

C12H25NOS2 — CID 169285624

IUPACN-[2-(hexyldisulfanyl)ethyl]butanamide
SMILESCCCCCCSSCCNC(=O)CCC
InChIInChI=1S/C12H25NOS2/c1-3-5-6-7-10-15-16-11-9-13-12(14)8-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyRRCSKDBZOGXDOR-UHFFFAOYSA-N
MW263.47 g/mol
LogP3.86
Rot. Bonds11

About N-[2-(hexyldisulfanyl)ethyl]butanamide

N-[2-(hexyldisulfanyl)ethyl]butanamide (PubChem CID 169285624) has the molecular formula C12H25NOS2 and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[2-(hexyldisulfanyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(hexyldisulfanyl)ethyl]butanamide
PubChem CID169285624
Molecular FormulaC12H25NOS2
Molecular Weight263.47 g/mol
Exact Mass263.14
IUPAC NameN-[2-(hexyldisulfanyl)ethyl]butanamide
SMILESCCCCCCSSCCNC(=O)CCC
InChIInChI=1S/C12H25NOS2/c1-3-5-6-7-10-15-16-11-9-13-12(14)8-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyRRCSKDBZOGXDOR-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177
1-hexyl-3-[4-[4-(hexylcarbamoylamino)butyldisulfanyl]butyl]urea
CID 167732095
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexyldisulfanyl)ethyl]butanamide?
The IUPAC name of N-[2-(hexyldisulfanyl)ethyl]butanamide (CID 169285624) is N-[2-(hexyldisulfanyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(hexyldisulfanyl)ethyl]butanamide?
The canonical SMILES for N-[2-(hexyldisulfanyl)ethyl]butanamide is CCCCCCSSCCNC(=O)CCC.
What is the InChIKey of N-[2-(hexyldisulfanyl)ethyl]butanamide?
The InChIKey is RRCSKDBZOGXDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS2/c1-3-5-6-7-10-15-16-11-9-13-12(14)8-4-2/h3-11H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(hexyldisulfanyl)ethyl]butanamide?
N-[2-(hexyldisulfanyl)ethyl]butanamide has a molecular weight of 263.47 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexyldisulfanyl)ethyl]butanamide is sourced from PubChem (CID 169285624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).