(Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide

C10H18N2O2S — CID 134993453

IUPAC(Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide
SMILESCCNC(=O)/C=C(\SCC)C(=O)NCC
InChIInChI=1S/C10H18N2O2S/c1-4-11-9(13)7-8(15-6-3)10(14)12-5-2/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/b8-7-
InChIKeyVZXCNSWLIVIAKK-FPLPWBNLSA-N
MW230.33 g/mol
LogP0.90
Rot. Bonds6

About (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide

(Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide (PubChem CID 134993453) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide
PubChem CID134993453
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide
SMILESCCNC(=O)/C=C(\SCC)C(=O)NCC
InChIInChI=1S/C10H18N2O2S/c1-4-11-9(13)7-8(15-6-3)10(14)12-5-2/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/b8-7-
InChIKeyVZXCNSWLIVIAKK-FPLPWBNLSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide?
The IUPAC name of (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide (CID 134993453) is (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide.
What is the SMILES notation for (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide?
The canonical SMILES for (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide is CCNC(=O)/C=C(\SCC)C(=O)NCC.
What is the InChIKey of (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide?
The InChIKey is VZXCNSWLIVIAKK-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-11-9(13)7-8(15-6-3)10(14)12-5-2/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/b8-7-.
What are the key properties of (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide?
(Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide has a molecular weight of 230.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-diethyl-2-ethylsulfanylbut-2-enediamide is sourced from PubChem (CID 134993453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).