3-(methylsulfanylmethyl)-4-propylpyrrolidine

C9H19NS — CID 167168453

IUPAC3-(methylsulfanylmethyl)-4-propylpyrrolidine
SMILESCCCC1CNCC1CSC
InChIInChI=1S/C9H19NS/c1-3-4-8-5-10-6-9(8)7-11-2/h8-10H,3-7H2,1-2H3
InChIKeyHFSMUIBVXUZUON-UHFFFAOYSA-N
MW173.32 g/mol
LogP1.99
Rot. Bonds4

About 3-(methylsulfanylmethyl)-4-propylpyrrolidine

3-(methylsulfanylmethyl)-4-propylpyrrolidine (PubChem CID 167168453) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-4-propylpyrrolidine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-4-propylpyrrolidine
PubChem CID167168453
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(methylsulfanylmethyl)-4-propylpyrrolidine
SMILESCCCC1CNCC1CSC
InChIInChI=1S/C9H19NS/c1-3-4-8-5-10-6-9(8)7-11-2/h8-10H,3-7H2,1-2H3
InChIKeyHFSMUIBVXUZUON-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-4-propylpyrrolidine?
The IUPAC name of 3-(methylsulfanylmethyl)-4-propylpyrrolidine (CID 167168453) is 3-(methylsulfanylmethyl)-4-propylpyrrolidine.
What is the SMILES notation for 3-(methylsulfanylmethyl)-4-propylpyrrolidine?
The canonical SMILES for 3-(methylsulfanylmethyl)-4-propylpyrrolidine is CCCC1CNCC1CSC.
What is the InChIKey of 3-(methylsulfanylmethyl)-4-propylpyrrolidine?
The InChIKey is HFSMUIBVXUZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-4-8-5-10-6-9(8)7-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(methylsulfanylmethyl)-4-propylpyrrolidine?
3-(methylsulfanylmethyl)-4-propylpyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-4-propylpyrrolidine is sourced from PubChem (CID 167168453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).