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

C10H21NO3S — CID 112627601

IUPAC1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)CS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C10H21NO3S/c1-8(2)7-15(13,14)11-5-4-10(6-11)9(3)12/h8-10,12H,4-7H2,1-3H3
InChIKeyYLPZIUVINHHBDH-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.67
Rot. Bonds4

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

1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 112627601) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID112627601
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)CS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C10H21NO3S/c1-8(2)7-15(13,14)11-5-4-10(6-11)9(3)12/h8-10,12H,4-7H2,1-3H3
InChIKeyYLPZIUVINHHBDH-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
CID 112627564
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol
CID 106837151
1-(1-piperazin-1-ylsulfonylpyrrolidin-3-yl)ethanol
CID 112626102
4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115965238
N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 114507143
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553988
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid
CID 115965126
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
methyl 2-[(3S)-1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99873589
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol (CID 112627601) is 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol is CC(C)CS(=O)(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is YLPZIUVINHHBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)7-15(13,14)11-5-4-10(6-11)9(3)12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).