(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide

C15H24N2O3S2 — CID 156745047

IUPAC(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide
SMILESC/C=C(/C)S/C(=C/CC)SC.O=CNC1CCC(=O)NC1=O
InChIInChI=1S/C9H16S2.C6H8N2O3/c1-5-7-9(10-4)11-8(3)6-2;9-3-7-4-1-2-5(10)8-6(4)11/h6-7H,5H2,1-4H3;3-4H,1-2H2,(H,7,9)(H,8,10,11)/b8-6-,9-7+;
InChIKeyWTFOXBMSIOWEJN-JYWQNNPFSA-N
MW344.50 g/mol
LogP2.80
Rot. Bonds6

About (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide

(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 156745047) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound Name(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID156745047
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide
SMILESC/C=C(/C)S/C(=C/CC)SC.O=CNC1CCC(=O)NC1=O
InChIInChI=1S/C9H16S2.C6H8N2O3/c1-5-7-9(10-4)11-8(3)6-2;9-3-7-4-1-2-5(10)8-6(4)11/h6-7H,5H2,1-4H3;3-4H,1-2H2,(H,7,9)(H,8,10,11)/b8-6-,9-7+;
InChIKeyWTFOXBMSIOWEJN-JYWQNNPFSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide (CID 156745047) is (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide is C/C=C(/C)S/C(=C/CC)SC.O=CNC1CCC(=O)NC1=O.
What is the InChIKey of (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is WTFOXBMSIOWEJN-JYWQNNPFSA-N. The full InChI is InChI=1S/C9H16S2.C6H8N2O3/c1-5-7-9(10-4)11-8(3)6-2;9-3-7-4-1-2-5(10)8-6(4)11/h6-7H,5H2,1-4H3;3-4H,1-2H2,(H,7,9)(H,8,10,11)/b8-6-,9-7+;.
What are the key properties of (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide?
(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 344.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 156745047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).