N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide

C15H29NOS4 — CID 102408329

IUPACN,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCSCCSCC)CCSCCSCC
InChIInChI=1S/C15H29NOS4/c1-4-15(17)16(7-9-20-13-11-18-5-2)8-10-21-14-12-19-6-3/h4H,1,5-14H2,2-3H3
InChIKeyVJVBSCHRSZWABM-UHFFFAOYSA-N
MW367.67 g/mol
LogP3.97
Rot. Bonds15

About N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide

N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide (PubChem CID 102408329) has the molecular formula C15H29NOS4 and a molecular weight of 367.67 g/mol. Its IUPAC name is N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide
PubChem CID102408329
Molecular FormulaC15H29NOS4
Molecular Weight367.67 g/mol
Exact Mass367.11
IUPAC NameN,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCSCCSCC)CCSCCSCC
InChIInChI=1S/C15H29NOS4/c1-4-15(17)16(7-9-20-13-11-18-5-2)8-10-21-14-12-19-6-3/h4H,1,5-14H2,2-3H3
InChIKeyVJVBSCHRSZWABM-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N,N-bis(butylsulfanylmethyl)prop-2-enamide
CID 57094170
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4-Propan-2-yl-2,3-dihydro-1,4-thiazepin-5-one
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N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide?
The IUPAC name of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide (CID 102408329) is N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide.
What is the SMILES notation for N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide?
The canonical SMILES for N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide is C=CC(=O)N(CCSCCSCC)CCSCCSCC.
What is the InChIKey of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide?
The InChIKey is VJVBSCHRSZWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS4/c1-4-15(17)16(7-9-20-13-11-18-5-2)8-10-21-14-12-19-6-3/h4H,1,5-14H2,2-3H3.
What are the key properties of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide?
N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide has a molecular weight of 367.67 g/mol, XLogP of 3.97, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]prop-2-enamide is sourced from PubChem (CID 102408329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).