(2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine

C10H21NO2S — CID 146518657

IUPAC(2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCCN1CC(S(C)(=O)=O)C[C@H]1C(C)C
InChIInChI=1S/C10H21NO2S/c1-5-11-7-9(14(4,12)13)6-10(11)8(2)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyGNCHGSJXFHPUGB-AXDSSHIGSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds3

About (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine

(2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine (PubChem CID 146518657) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine
PubChem CID146518657
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine
SMILESCCN1CC(S(C)(=O)=O)C[C@H]1C(C)C
InChIInChI=1S/C10H21NO2S/c1-5-11-7-9(14(4,12)13)6-10(11)8(2)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyGNCHGSJXFHPUGB-AXDSSHIGSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-diethyl-2-propan-2-ylpiperidine
CID 59860323
1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178105166
(4R)-2-tert-butyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine
CID 167360220
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
1-butan-2-yl-4-methylsulfonylpiperidine
CID 121183044
1-cyclopropyl-3-methylsulfonylazetidine
CID 139502472
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415
1-ethyl-2-(1-methylsulfonylethyl)piperazine
CID 173033565
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
imino-methyl-[1-(3-methylbutyl)azetidin-3-yl]-oxo-λ6-sulfane
CID 166562090
(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine
CID 134572937

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine (CID 146518657) is (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine is CCN1CC(S(C)(=O)=O)C[C@H]1C(C)C.
What is the InChIKey of (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine?
The InChIKey is GNCHGSJXFHPUGB-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-11-7-9(14(4,12)13)6-10(11)8(2)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine?
(2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 146518657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).