3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine

C9H19NO2S — CID 126539787

IUPAC3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
SMILESCC1(C)CCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2)4-5-10(8-9)6-7-13(3,11)12/h4-8H2,1-3H3
InChIKeyXMCLLOGMPSTCKE-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds3

About 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine

3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine (PubChem CID 126539787) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
PubChem CID126539787
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
SMILESCC1(C)CCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2)4-5-10(8-9)6-7-13(3,11)12/h4-8H2,1-3H3
InChIKeyXMCLLOGMPSTCKE-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfonylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984208
3-ethyl-3-methyl-1-(2-methylsulfonylethyl)-1,4-diazepane
CID 64869553
1-(2-chloroethyl)-3,3-dimethylpyrrolidine
CID 18182640
(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine
CID 96540288
N-methyl-1-[3-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]methanamine
CID 106318641
ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
1-iodo-4-(2-methylsulfonylethyl)piperazine
CID 144963029
3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
CID 144979676
4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
CID 114284237
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 72923462
3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64834039

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine?
The IUPAC name of 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine (CID 126539787) is 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine?
The canonical SMILES for 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine is CC1(C)CCN(CCS(C)(=O)=O)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine?
The InChIKey is XMCLLOGMPSTCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2)4-5-10(8-9)6-7-13(3,11)12/h4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine?
3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 126539787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).