trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane

C9H21NS2 — CID 134437343

IUPACtrimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane
SMILESCS(C)(C)CCSN1CCCC1
InChIInChI=1S/C9H21NS2/c1-12(2,3)9-8-11-10-6-4-5-7-10/h4-9H2,1-3H3
InChIKeyXOTAEGHQYOBGBV-UHFFFAOYSA-N
MW207.41 g/mol
LogP2.42
Rot. Bonds4

About trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane

trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane (PubChem CID 134437343) has the molecular formula C9H21NS2 and a molecular weight of 207.41 g/mol. Its IUPAC name is trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane
PubChem CID134437343
Molecular FormulaC9H21NS2
Molecular Weight207.41 g/mol
Exact Mass207.11
IUPAC Nametrimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane
SMILESCS(C)(C)CCSN1CCCC1
InChIInChI=1S/C9H21NS2/c1-12(2,3)9-8-11-10-6-4-5-7-10/h4-9H2,1-3H3
InChIKeyXOTAEGHQYOBGBV-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane?
The IUPAC name of trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane (CID 134437343) is trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane.
What is the SMILES notation for trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane?
The canonical SMILES for trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane is CS(C)(C)CCSN1CCCC1.
What is the InChIKey of trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane?
The InChIKey is XOTAEGHQYOBGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS2/c1-12(2,3)9-8-11-10-6-4-5-7-10/h4-9H2,1-3H3.
What are the key properties of trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane?
trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane has a molecular weight of 207.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-λ4-sulfane is sourced from PubChem (CID 134437343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).