1-(1-methylsulfanylethyl)pyrrolidine

C7H15NS — CID 45088054

IUPAC1-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)N1CCCC1
InChIInChI=1S/C7H15NS/c1-7(9-2)8-5-3-4-6-8/h7H,3-6H2,1-2H3
InChIKeyZEMQJWXNDNHYJX-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds2

About 1-(1-methylsulfanylethyl)pyrrolidine

1-(1-methylsulfanylethyl)pyrrolidine (PubChem CID 45088054) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-(1-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-methylsulfanylethyl)pyrrolidine
PubChem CID45088054
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)N1CCCC1
InChIInChI=1S/C7H15NS/c1-7(9-2)8-5-3-4-6-8/h7H,3-6H2,1-2H3
InChIKeyZEMQJWXNDNHYJX-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfanylethyl)pyrrolidine?
The IUPAC name of 1-(1-methylsulfanylethyl)pyrrolidine (CID 45088054) is 1-(1-methylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 1-(1-methylsulfanylethyl)pyrrolidine?
The canonical SMILES for 1-(1-methylsulfanylethyl)pyrrolidine is CSC(C)N1CCCC1.
What is the InChIKey of 1-(1-methylsulfanylethyl)pyrrolidine?
The InChIKey is ZEMQJWXNDNHYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(9-2)8-5-3-4-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylsulfanylethyl)pyrrolidine?
1-(1-methylsulfanylethyl)pyrrolidine has a molecular weight of 145.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 45088054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).