1-(3-methylsulfanylprop-1-enyl)pyrrolidine

C8H15NS — CID 76538844

IUPAC1-(3-methylsulfanylprop-1-enyl)pyrrolidine
SMILESCSCC=CN1CCCC1
InChIInChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,7H,2-3,5-6,8H2,1H3
InChIKeyBMSSGGXYUPVELN-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds3

About 1-(3-methylsulfanylprop-1-enyl)pyrrolidine

1-(3-methylsulfanylprop-1-enyl)pyrrolidine (PubChem CID 76538844) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(3-methylsulfanylprop-1-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylsulfanylprop-1-enyl)pyrrolidine
PubChem CID76538844
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(3-methylsulfanylprop-1-enyl)pyrrolidine
SMILESCSCC=CN1CCCC1
InChIInChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,7H,2-3,5-6,8H2,1H3
InChIKeyBMSSGGXYUPVELN-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylprop-1-enyl)pyrrolidine?
The IUPAC name of 1-(3-methylsulfanylprop-1-enyl)pyrrolidine (CID 76538844) is 1-(3-methylsulfanylprop-1-enyl)pyrrolidine.
What is the SMILES notation for 1-(3-methylsulfanylprop-1-enyl)pyrrolidine?
The canonical SMILES for 1-(3-methylsulfanylprop-1-enyl)pyrrolidine is CSCC=CN1CCCC1.
What is the InChIKey of 1-(3-methylsulfanylprop-1-enyl)pyrrolidine?
The InChIKey is BMSSGGXYUPVELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,7H,2-3,5-6,8H2,1H3.
What are the key properties of 1-(3-methylsulfanylprop-1-enyl)pyrrolidine?
1-(3-methylsulfanylprop-1-enyl)pyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylprop-1-enyl)pyrrolidine is sourced from PubChem (CID 76538844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).