trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane

C8H19NS — CID 165122701

IUPACtrimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane
SMILESCC1CCN(S(C)(C)C)C1
InChIInChI=1S/C8H19NS/c1-8-5-6-9(7-8)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyLMPAKCQGFJYAKO-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.94
Rot. Bonds1

About trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane

trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane (PubChem CID 165122701) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane
PubChem CID165122701
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Nametrimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane
SMILESCC1CCN(S(C)(C)C)C1
InChIInChI=1S/C8H19NS/c1-8-5-6-9(7-8)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyLMPAKCQGFJYAKO-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane?
The IUPAC name of trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane (CID 165122701) is trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane.
What is the SMILES notation for trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane?
The canonical SMILES for trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane is CC1CCN(S(C)(C)C)C1.
What is the InChIKey of trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane?
The InChIKey is LMPAKCQGFJYAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8-5-6-9(7-8)10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane?
trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane has a molecular weight of 161.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-methylpyrrolidin-1-yl)-λ4-sulfane is sourced from PubChem (CID 165122701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).