(2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine

C6H13NOS — CID 134597084

IUPAC(2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine
SMILESCOC[C@@H]1CCCN1S
InChIInChI=1S/C6H13NOS/c1-8-5-6-3-2-4-7(6)9/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyYPPKXCCOKPRPKB-LURJTMIESA-N
MW147.24 g/mol
LogP0.94
Rot. Bonds2

About (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine

(2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine (PubChem CID 134597084) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine
PubChem CID134597084
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine
SMILESCOC[C@@H]1CCCN1S
InChIInChI=1S/C6H13NOS/c1-8-5-6-3-2-4-7(6)9/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyYPPKXCCOKPRPKB-LURJTMIESA-N
XLogP0.94
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine (CID 134597084) is (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine is COC[C@@H]1CCCN1S.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine?
The InChIKey is YPPKXCCOKPRPKB-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NOS/c1-8-5-6-3-2-4-7(6)9/h6,9H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine?
(2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine has a molecular weight of 147.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-sulfanylpyrrolidine is sourced from PubChem (CID 134597084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).