N-[(butanoylamino)tetrasulfanyl]butanamide

C8H16N2O2S4 — CID 139729508

IUPACN-[(butanoylamino)tetrasulfanyl]butanamide
SMILESCCCC(=O)NSSSSNC(=O)CCC
InChIInChI=1S/C8H16N2O2S4/c1-3-5-7(11)9-13-15-16-14-10-8(12)6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyMLMLNUXMHUFWLA-UHFFFAOYSA-N
MW300.50 g/mol
LogP3.33
Rot. Bonds9

About N-[(butanoylamino)tetrasulfanyl]butanamide

N-[(butanoylamino)tetrasulfanyl]butanamide (PubChem CID 139729508) has the molecular formula C8H16N2O2S4 and a molecular weight of 300.50 g/mol. Its IUPAC name is N-[(butanoylamino)tetrasulfanyl]butanamide.

Molecular Properties

Compound NameN-[(butanoylamino)tetrasulfanyl]butanamide
PubChem CID139729508
Molecular FormulaC8H16N2O2S4
Molecular Weight300.50 g/mol
Exact Mass300.01
IUPAC NameN-[(butanoylamino)tetrasulfanyl]butanamide
SMILESCCCC(=O)NSSSSNC(=O)CCC
InChIInChI=1S/C8H16N2O2S4/c1-3-5-7(11)9-13-15-16-14-10-8(12)6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyMLMLNUXMHUFWLA-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(tridecanoylamino)tetrasulfanyl]tridecanamide
CID 139729518
N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide
CID 139729525
N-[(heptanoylamino)pentasulfanyl]heptanamide
CID 139729502
N-sulfanylbutanamide
CID 18680505
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-but-1-en-2-ylbutanamide
CID 159787043
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-acetamidobutyl)butanamide
CID 110417477
N-(3-iodopropyl)butanamide
CID 114504418

Frequently Asked Questions

What is the IUPAC name of N-[(butanoylamino)tetrasulfanyl]butanamide?
The IUPAC name of N-[(butanoylamino)tetrasulfanyl]butanamide (CID 139729508) is N-[(butanoylamino)tetrasulfanyl]butanamide.
What is the SMILES notation for N-[(butanoylamino)tetrasulfanyl]butanamide?
The canonical SMILES for N-[(butanoylamino)tetrasulfanyl]butanamide is CCCC(=O)NSSSSNC(=O)CCC.
What is the InChIKey of N-[(butanoylamino)tetrasulfanyl]butanamide?
The InChIKey is MLMLNUXMHUFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S4/c1-3-5-7(11)9-13-15-16-14-10-8(12)6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-[(butanoylamino)tetrasulfanyl]butanamide?
N-[(butanoylamino)tetrasulfanyl]butanamide has a molecular weight of 300.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(butanoylamino)tetrasulfanyl]butanamide is sourced from PubChem (CID 139729508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).