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

C9H21NS — CID 123778666

IUPACtrimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane
SMILESCS(C)(C)CCN1CCCC1
InChIInChI=1S/C9H21NS/c1-11(2,3)9-8-10-6-4-5-7-10/h4-9H2,1-3H3
InChIKeyJGKLPHVYSOQCNW-UHFFFAOYSA-N
MW175.34 g/mol
LogP1.78
Rot. Bonds3

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

trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane (PubChem CID 123778666) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane
PubChem CID123778666
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Nametrimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane
SMILESCS(C)(C)CCN1CCCC1
InChIInChI=1S/C9H21NS/c1-11(2,3)9-8-10-6-4-5-7-10/h4-9H2,1-3H3
InChIKeyJGKLPHVYSOQCNW-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane?
The IUPAC name of trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane (CID 123778666) is trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane.
What is the SMILES notation for trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane?
The canonical SMILES for trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane is CS(C)(C)CCN1CCCC1.
What is the InChIKey of trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane?
The InChIKey is JGKLPHVYSOQCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-11(2,3)9-8-10-6-4-5-7-10/h4-9H2,1-3H3.
What are the key properties of trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane?
trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane has a molecular weight of 175.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pyrrolidin-1-ylethyl)-λ4-sulfane is sourced from PubChem (CID 123778666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).