2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane

C11H21NS2 — CID 123611983

IUPAC2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane
SMILESC/C=C1/CCN=C1CCS(C)(C)(C)=S
InChIInChI=1S/C11H21NS2/c1-5-10-6-8-12-11(10)7-9-14(2,3,4)13/h5H,6-9H2,1-4H3/b10-5-
InChIKeyBRYUODLFPHPLLK-YHYXMXQVSA-N
MW231.43 g/mol
LogP2.21
Rot. Bonds3

About 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane

2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane (PubChem CID 123611983) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane
PubChem CID123611983
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC Name2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane
SMILESC/C=C1/CCN=C1CCS(C)(C)(C)=S
InChIInChI=1S/C11H21NS2/c1-5-10-6-8-12-11(10)7-9-14(2,3,4)13/h5H,6-9H2,1-4H3/b10-5-
InChIKeyBRYUODLFPHPLLK-YHYXMXQVSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyrrole, 3,4-dihydro-5-[2-(methylthio)-1-propenyl]-
CID 5372591
ethane;N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228188
ethane;(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine;propane
CID 172567417
3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole
CID 587781
5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole
CID 101281175
(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine
CID 143718079
(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine
CID 172567418

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane?
The IUPAC name of 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane (CID 123611983) is 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane.
What is the SMILES notation for 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane?
The canonical SMILES for 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane is C/C=C1/CCN=C1CCS(C)(C)(C)=S.
What is the InChIKey of 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane?
The InChIKey is BRYUODLFPHPLLK-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H21NS2/c1-5-10-6-8-12-11(10)7-9-14(2,3,4)13/h5H,6-9H2,1-4H3/b10-5-.
What are the key properties of 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane?
2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane has a molecular weight of 231.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 123611983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).