1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine

C10H19NS — CID 156553697

IUPAC1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine
SMILESC=C1C(SC(C)C)CC(C)N1C
InChIInChI=1S/C10H19NS/c1-7(2)12-10-6-8(3)11(5)9(10)4/h7-8,10H,4,6H2,1-3,5H3
InChIKeyRWIQBYAQLXUSNS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.73
Rot. Bonds2

About 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine

1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine (PubChem CID 156553697) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine
PubChem CID156553697
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine
SMILESC=C1C(SC(C)C)CC(C)N1C
InChIInChI=1S/C10H19NS/c1-7(2)12-10-6-8(3)11(5)9(10)4/h7-8,10H,4,6H2,1-3,5H3
InChIKeyRWIQBYAQLXUSNS-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine?
The IUPAC name of 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine (CID 156553697) is 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine.
What is the SMILES notation for 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine?
The canonical SMILES for 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine is C=C1C(SC(C)C)CC(C)N1C.
What is the InChIKey of 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine?
The InChIKey is RWIQBYAQLXUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-7(2)12-10-6-8(3)11(5)9(10)4/h7-8,10H,4,6H2,1-3,5H3.
What are the key properties of 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine?
1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine is sourced from PubChem (CID 156553697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).