1-methyl-3-propylsulfanylpyrrolidine

C8H17NS — CID 18722954

IUPAC1-methyl-3-propylsulfanylpyrrolidine
SMILESCCCSC1CCN(C)C1
InChIInChI=1S/C8H17NS/c1-3-6-10-8-4-5-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeyZSUNOTDSDPFLHL-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds3

About 1-methyl-3-propylsulfanylpyrrolidine

1-methyl-3-propylsulfanylpyrrolidine (PubChem CID 18722954) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-methyl-3-propylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-propylsulfanylpyrrolidine
PubChem CID18722954
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-methyl-3-propylsulfanylpyrrolidine
SMILESCCCSC1CCN(C)C1
InChIInChI=1S/C8H17NS/c1-3-6-10-8-4-5-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeyZSUNOTDSDPFLHL-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylsulfanylpyrrolidine?
The IUPAC name of 1-methyl-3-propylsulfanylpyrrolidine (CID 18722954) is 1-methyl-3-propylsulfanylpyrrolidine.
What is the SMILES notation for 1-methyl-3-propylsulfanylpyrrolidine?
The canonical SMILES for 1-methyl-3-propylsulfanylpyrrolidine is CCCSC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-propylsulfanylpyrrolidine?
The InChIKey is ZSUNOTDSDPFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-6-10-8-4-5-9(2)7-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-propylsulfanylpyrrolidine?
1-methyl-3-propylsulfanylpyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylsulfanylpyrrolidine is sourced from PubChem (CID 18722954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).