[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol

C10H21NO4S — CID 102786449

IUPAC[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCOCCS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H21NO4S/c1-3-15-6-7-16(13,14)11-5-4-9(2)10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyRQJZLGMZHNHIFU-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.06
Rot. Bonds6

About [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol

[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102786449) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102786449
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCOCCS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H21NO4S/c1-3-15-6-7-16(13,14)11-5-4-9(2)10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyRQJZLGMZHNHIFU-UHFFFAOYSA-N
XLogP0.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102778572
[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
CID 102782218
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
(2S,3S)-1-(2-ethoxyethylsulfonyl)-2-methylpiperidine-3-carboxylic acid
CID 122105232
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
1-butylsulfonyl-2-(chloromethyl)-3-methylpyrrolidine
CID 102788521
1-(2-ethoxyethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 119969815
4-bromo-1-(2-ethoxyethylsulfonyl)-3-methylpiperidine
CID 114683697
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylpropanoic acid
CID 102778344
1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937263
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol (CID 102786449) is [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol is CCOCCS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is RQJZLGMZHNHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-15-6-7-16(13,14)11-5-4-9(2)10(11)8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).