2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol

C10H21NO3S — CID 114799312

IUPAC2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
SMILESCC(C)(C)S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)15(13,14)11-6-4-9(8-11)5-7-12/h9,12H,4-8H2,1-3H3
InChIKeyAMFLSYARJAYARB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds3

About 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol

2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol (PubChem CID 114799312) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
PubChem CID114799312
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
SMILESCC(C)(C)S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)15(13,14)11-6-4-9(8-11)5-7-12/h9,12H,4-8H2,1-3H3
InChIKeyAMFLSYARJAYARB-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796802
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 114386511
3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 115744998
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114798317
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylethanethioamide
CID 114797660
4-bromo-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 114797323
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 115901977

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol (CID 114799312) is 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol is CC(C)(C)S(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol?
The InChIKey is AMFLSYARJAYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)15(13,14)11-6-4-9(8-11)5-7-12/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol?
2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 114799312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).