(2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine

C11H23NO3S — CID 58689166

IUPAC(2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2)6-8-16(13,14)12-7-4-5-11(12)9-15-3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyMAJFFANKSXCWSB-NSHDSACASA-N
MW249.38 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine

(2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine (PubChem CID 58689166) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine
PubChem CID58689166
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2)6-8-16(13,14)12-7-4-5-11(12)9-15-3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyMAJFFANKSXCWSB-NSHDSACASA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propane-1-sulfonic acid (R)-1-(propane-1-sulfonyl)-pyrrolidin-2-ylmethyl ester
CID 59547752
(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
CID 12027298
5-(3-Methylbutylsulfonyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 58689014
(2R)-2-(methoxymethyl)-1-propylsulfonylpyrrolidine
CID 69110600
2-(Methoxymethyl)-1-methylsulfonylpyrrolidine
CID 71325167
1-Ethylsulfonyl-2-(methoxymethyl)pyrrolidine
CID 71325169
(2S)-2-(methoxymethyl)-1-methylsulfonylpyrrolidine
CID 71407791
(1-Propylsulfonylpyrrolidin-2-yl)methyl propane-1-sulfonate
CID 72323287
(1-Propan-2-ylsulfonylpyrrolidin-2-yl)methyl propane-2-sulfonate
CID 87797689
(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 123302269
2-(Methoxymethyl)-1-(3-methylsulfonylpropyl)pyrrolidine
CID 141833681
(2R)-2-(methoxymethyl)-1-methylsulfonylpyrrolidine
CID 163567210

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine (CID 58689166) is (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine is COC[C@@H]1CCCN1S(=O)(=O)CCC(C)C.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine?
The InChIKey is MAJFFANKSXCWSB-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)6-8-16(13,14)12-7-4-5-11(12)9-15-3/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine?
(2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine has a molecular weight of 249.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-(3-methylbutylsulfonyl)pyrrolidine is sourced from PubChem (CID 58689166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).