methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate

C16H26N2S4Si — CID 100999763

IUPACmethyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate
SMILESCSC(=S)C1=C(N[Si](C)(C)NC2=C(C(=S)SC)CCC2)CCC1
InChIInChI=1S/C16H26N2S4Si/c1-21-15(19)11-7-5-9-13(11)17-23(3,4)18-14-10-6-8-12(14)16(20)22-2/h17-18H,5-10H2,1-4H3
InChIKeyRCLBFUQPFXHABF-UHFFFAOYSA-N
MW402.75 g/mol
LogP5.12
Rot. Bonds6

About methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate

methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate (PubChem CID 100999763) has the molecular formula C16H26N2S4Si and a molecular weight of 402.75 g/mol. Its IUPAC name is methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate.

Molecular Properties

Compound Namemethyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate
PubChem CID100999763
Molecular FormulaC16H26N2S4Si
Molecular Weight402.75 g/mol
Exact Mass402.07
IUPAC Namemethyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate
SMILESCSC(=S)C1=C(N[Si](C)(C)NC2=C(C(=S)SC)CCC2)CCC1
InChIInChI=1S/C16H26N2S4Si/c1-21-15(19)11-7-5-9-13(11)17-23(3,4)18-14-10-6-8-12(14)16(20)22-2/h17-18H,5-10H2,1-4H3
InChIKeyRCLBFUQPFXHABF-UHFFFAOYSA-N
XLogP5.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.75
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate?
The IUPAC name of methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate (CID 100999763) is methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate.
What is the SMILES notation for methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate?
The canonical SMILES for methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate is CSC(=S)C1=C(N[Si](C)(C)NC2=C(C(=S)SC)CCC2)CCC1.
What is the InChIKey of methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate?
The InChIKey is RCLBFUQPFXHABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S4Si/c1-21-15(19)11-7-5-9-13(11)17-23(3,4)18-14-10-6-8-12(14)16(20)22-2/h17-18H,5-10H2,1-4H3.
What are the key properties of methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate?
methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate has a molecular weight of 402.75 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[dimethyl-[(2-methylsulfanylcarbothioylcyclopenten-1-yl)amino]silyl]amino]cyclopentene-1-carbodithioate is sourced from PubChem (CID 100999763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).