(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol

C8H17NO3S — CID 61409013

IUPAC(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol
SMILESCC(C)S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyDXLDGKQAENTALA-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds3

About (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol

(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol (PubChem CID 61409013) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol
PubChem CID61409013
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol
SMILESCC(C)S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyDXLDGKQAENTALA-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propane-1-sulfonic acid (R)-1-(propane-1-sulfonyl)-pyrrolidin-2-ylmethyl ester
CID 59547752
3-(Hydroxymethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982013
(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 71911371
(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidine-3-sulfonyl fluoride
CID 176257926
(2S)-1-ethylsulfonyl-2-(methoxymethyl)pyrrolidine
CID 12027298
(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol
CID 102174650
(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 102174651
(4,4-Dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol
CID 131037280
[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 75387077
[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83058643
[(2R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83059715
[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83059716

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol (CID 61409013) is (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol is CC(C)S(=O)(=O)N1CCCC1CO.
What is the InChIKey of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol?
The InChIKey is DXLDGKQAENTALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol?
(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 61409013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).