2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol

C10H22N2O3S — CID 114798317

IUPAC2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
SMILESCCNCCS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H22N2O3S/c1-2-11-5-8-16(14,15)12-6-3-10(9-12)4-7-13/h10-11,13H,2-9H2,1H3
InChIKeyGKJOHFPYPWAGIB-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.37
Rot. Bonds7

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

2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol (PubChem CID 114798317) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
PubChem CID114798317
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
SMILESCCNCCS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H22N2O3S/c1-2-11-5-8-16(14,15)12-6-3-10(9-12)4-7-13/h10-11,13H,2-9H2,1H3
InChIKeyGKJOHFPYPWAGIB-UHFFFAOYSA-N
XLogP-0.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
CID 114799312
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylethanethioamide
CID 114797660
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine
CID 66371474
N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 114386511
3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 115744998
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
CID 54989669
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol (CID 114798317) is 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol is CCNCCS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol?
The InChIKey is GKJOHFPYPWAGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-2-11-5-8-16(14,15)12-6-3-10(9-12)4-7-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol has a molecular weight of 250.36 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).