(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine

C8H17NOS — CID 134386635

IUPAC(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1CSC
InChIInChI=1S/C8H17NOS/c1-10-6-8-4-3-5-9(8)7-11-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyODWFFYSPTUJOPE-MRVPVSSYSA-N
MW175.30 g/mol
LogP1.42
Rot. Bonds4

About (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine

(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine (PubChem CID 134386635) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
PubChem CID134386635
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1CSC
InChIInChI=1S/C8H17NOS/c1-10-6-8-4-3-5-9(8)7-11-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyODWFFYSPTUJOPE-MRVPVSSYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine
CID 138459557
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
CID 145338634
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
2-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 13397234
3-[2-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 121201536
ethyl 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoate
CID 102092021
[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 71150761
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine (CID 134386635) is (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine is COC[C@H]1CCCN1CSC.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is ODWFFYSPTUJOPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-10-6-8-4-3-5-9(8)7-11-2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine?
(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 175.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 134386635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).