[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol

C10H21NO4S — CID 79594903

IUPAC[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC(C)OCCS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C10H21NO4S/c1-9(2)15-6-7-16(13,14)11-5-3-4-10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyJHUGPMBRNKIHMX-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.20
Rot. Bonds6

About [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol

[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 79594903) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID79594903
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC(C)OCCS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C10H21NO4S/c1-9(2)15-6-7-16(13,14)11-5-3-4-10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyJHUGPMBRNKIHMX-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
CID 79594908
2-(2-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 79601215
1-[1-(2-propan-2-yloxyethylsulfonyl)azepan-2-yl]propan-2-one
CID 79593615
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
CID 79599985
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
CID 96516255
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79592858
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
(1S)-1-(4-methoxyphenyl)-1-[(2R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol
CID 98794906

Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol (CID 79594903) is [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol is CC(C)OCCS(=O)(=O)N1CCCC1CO.
What is the InChIKey of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is JHUGPMBRNKIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(2)15-6-7-16(13,14)11-5-3-4-10(11)8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol?
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79594903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).