(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine

C8H17NOS — CID 146554442

IUPAC(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine
SMILESCSC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C8H17NOS/c1-7(11-2)10-6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyCJHPCPYMOLIYIX-MQWKRIRWSA-N
MW175.30 g/mol
LogP1.46
Rot. Bonds4

About (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine

(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine (PubChem CID 146554442) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine
PubChem CID146554442
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine
SMILESCSC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C8H17NOS/c1-7(11-2)10-6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyCJHPCPYMOLIYIX-MQWKRIRWSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 28802468
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(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
CID 103488467
(2S)-2-(methylperoxymethyl)pyrrolidine
CID 88881099
(2S)-2-(1-iodobutoxymethyl)pyrrolidine
CID 121274934
2-(pentan-2-yloxymethyl)piperidine
CID 102981941
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
CID 97162429
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine (CID 146554442) is (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine is CSC(C)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine?
The InChIKey is CJHPCPYMOLIYIX-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(11-2)10-6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine?
(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine has a molecular weight of 175.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine is sourced from PubChem (CID 146554442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).