3-ethylsulfanyl-1-methylpyrrolidine

C7H15NS — CID 18723147

IUPAC3-ethylsulfanyl-1-methylpyrrolidine
SMILESCCSC1CCN(C)C1
InChIInChI=1S/C7H15NS/c1-3-9-7-4-5-8(2)6-7/h7H,3-6H2,1-2H3
InChIKeyCGOLAPRAHBDOPA-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds2

About 3-ethylsulfanyl-1-methylpyrrolidine

3-ethylsulfanyl-1-methylpyrrolidine (PubChem CID 18723147) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-methylpyrrolidine.

Molecular Properties

Compound Name3-ethylsulfanyl-1-methylpyrrolidine
PubChem CID18723147
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-ethylsulfanyl-1-methylpyrrolidine
SMILESCCSC1CCN(C)C1
InChIInChI=1S/C7H15NS/c1-3-9-7-4-5-8(2)6-7/h7H,3-6H2,1-2H3
InChIKeyCGOLAPRAHBDOPA-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-methylpyrrolidine?
The IUPAC name of 3-ethylsulfanyl-1-methylpyrrolidine (CID 18723147) is 3-ethylsulfanyl-1-methylpyrrolidine.
What is the SMILES notation for 3-ethylsulfanyl-1-methylpyrrolidine?
The canonical SMILES for 3-ethylsulfanyl-1-methylpyrrolidine is CCSC1CCN(C)C1.
What is the InChIKey of 3-ethylsulfanyl-1-methylpyrrolidine?
The InChIKey is CGOLAPRAHBDOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-9-7-4-5-8(2)6-7/h7H,3-6H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-methylpyrrolidine?
3-ethylsulfanyl-1-methylpyrrolidine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-methylpyrrolidine is sourced from PubChem (CID 18723147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).