1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol

C10H21NO4S — CID 112627567

IUPAC1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCCOCCS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C10H21NO4S/c1-3-15-6-7-16(13,14)11-5-4-10(8-11)9(2)12/h9-10,12H,3-8H2,1-2H3
InChIKeyFMTHVGWBDVWBOW-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.06
Rot. Bonds6

About 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol

1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 112627567) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID112627567
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCCOCCS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C10H21NO4S/c1-3-15-6-7-16(13,14)11-5-4-10(8-11)9(2)12/h9-10,12H,3-8H2,1-2H3
InChIKeyFMTHVGWBDVWBOW-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-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300302
4-bromo-1-(2-ethoxyethylsulfonyl)-3-methylpiperidine
CID 114683697
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080
3-bromo-1-(2-ethoxyethylsulfonyl)piperidine
CID 80677126
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
CID 104975175
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
CID 112627564
2-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol (CID 112627567) is 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol is CCOCCS(=O)(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is FMTHVGWBDVWBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-15-6-7-16(13,14)11-5-4-10(8-11)9(2)12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol 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-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).