[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol

C8H17NO3S — CID 62013739

IUPAC[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCCC1CO
InChIInChI=1S/C8H17NO3S/c1-13(11,12)6-5-9-4-2-3-8(9)7-10/h8,10H,2-7H2,1H3
InChIKeyHTTQYWPCWNZYDM-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds4

About [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol

[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol (PubChem CID 62013739) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol
PubChem CID62013739
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCCC1CO
InChIInChI=1S/C8H17NO3S/c1-13(11,12)6-5-9-4-2-3-8(9)7-10/h8,10H,2-7H2,1H3
InChIKeyHTTQYWPCWNZYDM-UHFFFAOYSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidine-3-sulfonyl fluoride
CID 176257926
[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 75387077
2,2,2-Trifluoro-1-[1-(3-propan-2-ylsulfonylpropyl)pyrrolidin-2-yl]ethanol
CID 86779029
(1R)-2,2,2-trifluoro-1-[(2R)-1-(3-propan-2-ylsulfonylpropyl)pyrrolidin-2-yl]ethanol
CID 99848813
(1R)-2,2,2-trifluoro-1-[(2S)-1-(3-propan-2-ylsulfonylpropyl)pyrrolidin-2-yl]ethanol
CID 99848814
[1-(3-Fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 112406240
(1-Ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol
CID 127002235
(1S)-2,2,2-trifluoro-1-[(2R)-1-(3-propan-2-ylsulfonylpropyl)pyrrolidin-2-yl]ethanol
CID 129374068
(1S)-2,2,2-trifluoro-1-[(2S)-1-(3-propan-2-ylsulfonylpropyl)pyrrolidin-2-yl]ethanol
CID 129374069
[(2S,4S)-1-ethylsulfonyl-4-fluoropyrrolidin-2-yl]methanol
CID 130610122
[(2S,4S)-4-fluoro-1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]methanol
CID 136581884
[(2S,4S)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 137846458

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol (CID 62013739) is [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol is CS(=O)(=O)CCN1CCCC1CO.
What is the InChIKey of [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is HTTQYWPCWNZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)6-5-9-4-2-3-8(9)7-10/h8,10H,2-7H2,1H3.
What are the key properties of [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol?
[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 207.29 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62013739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).