(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine

C7H15NOS — CID 139553524

IUPAC(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine
SMILESCSOC[C@@H]1CCN(C)C1
InChIInChI=1S/C7H15NOS/c1-8-4-3-7(5-8)6-9-10-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyAKSKHJJTIJGFID-SSDOTTSWSA-N
MW161.27 g/mol
LogP1.23
Rot. Bonds3

About (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine

(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine (PubChem CID 139553524) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine
PubChem CID139553524
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine
SMILESCSOC[C@@H]1CCN(C)C1
InChIInChI=1S/C7H15NOS/c1-8-4-3-7(5-8)6-9-10-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyAKSKHJJTIJGFID-SSDOTTSWSA-N
XLogP1.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
3-(methoxymethyl)-1-methyl-6-propylazocane
CID 70899502
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine
CID 164904398
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
3-fluoro-1-methylpyrrolidine;methoxymethane
CID 162743316
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine?
The IUPAC name of (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine (CID 139553524) is (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine.
What is the SMILES notation for (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine?
The canonical SMILES for (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine is CSOC[C@@H]1CCN(C)C1.
What is the InChIKey of (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine?
The InChIKey is AKSKHJJTIJGFID-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-4-3-7(5-8)6-9-10-2/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine?
(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine has a molecular weight of 161.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine is sourced from PubChem (CID 139553524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).