2-methylidene-4-propan-2-ylsulfanylpyrrolidine

C8H15NS — CID 158870133

IUPAC2-methylidene-4-propan-2-ylsulfanylpyrrolidine
SMILESC=C1CC(SC(C)C)CN1
InChIInChI=1S/C8H15NS/c1-6(2)10-8-4-7(3)9-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyKJPWKUPZVZKRDM-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.00
Rot. Bonds2

About 2-methylidene-4-propan-2-ylsulfanylpyrrolidine

2-methylidene-4-propan-2-ylsulfanylpyrrolidine (PubChem CID 158870133) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methylidene-4-propan-2-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name2-methylidene-4-propan-2-ylsulfanylpyrrolidine
PubChem CID158870133
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methylidene-4-propan-2-ylsulfanylpyrrolidine
SMILESC=C1CC(SC(C)C)CN1
InChIInChI=1S/C8H15NS/c1-6(2)10-8-4-7(3)9-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyKJPWKUPZVZKRDM-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
The IUPAC name of 2-methylidene-4-propan-2-ylsulfanylpyrrolidine (CID 158870133) is 2-methylidene-4-propan-2-ylsulfanylpyrrolidine.
What is the SMILES notation for 2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
The canonical SMILES for 2-methylidene-4-propan-2-ylsulfanylpyrrolidine is C=C1CC(SC(C)C)CN1.
What is the InChIKey of 2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
The InChIKey is KJPWKUPZVZKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)10-8-4-7(3)9-5-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
2-methylidene-4-propan-2-ylsulfanylpyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-propan-2-ylsulfanylpyrrolidine is sourced from PubChem (CID 158870133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).