4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine

C10H21NS — CID 89385788

IUPAC4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
SMILESCSCC1CC(C)CN1C(C)C
InChIInChI=1S/C10H21NS/c1-8(2)11-6-9(3)5-10(11)7-12-4/h8-10H,5-7H2,1-4H3
InChIKeyGHQCTZHGSVYDRF-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine

4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine (PubChem CID 89385788) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
PubChem CID89385788
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
SMILESCSCC1CC(C)CN1C(C)C
InChIInChI=1S/C10H21NS/c1-8(2)11-6-9(3)5-10(11)7-12-4/h8-10H,5-7H2,1-4H3
InChIKeyGHQCTZHGSVYDRF-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine (CID 89385788) is 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine is CSCC1CC(C)CN1C(C)C.
What is the InChIKey of 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is GHQCTZHGSVYDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)11-6-9(3)5-10(11)7-12-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine?
4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 89385788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).