[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol

C13H26N2O3S — CID 83223644

IUPAC[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H26N2O3S/c1-3-13-7-6-11(2)15(13)19(17,18)14-8-4-5-12(9-14)10-16/h11-13,16H,3-10H2,1-2H3
InChIKeyZBRZMDFVKJBVNC-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.20
Rot. Bonds4

About [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol

[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol (PubChem CID 83223644) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol
PubChem CID83223644
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H26N2O3S/c1-3-13-7-6-11(2)15(13)19(17,18)14-8-4-5-12(9-14)10-16/h11-13,16H,3-10H2,1-2H3
InChIKeyZBRZMDFVKJBVNC-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol
CID 79935038
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
ethyl 1-[3-(hydroxymethyl)piperidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 43589603
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 79312053
2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
CID 62358298
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
CID 43589686
5-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-ol
CID 153475228
4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine
CID 83219761
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62085839

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol (CID 83223644) is [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol is CCC1CCC(C)N1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is ZBRZMDFVKJBVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-13-7-6-11(2)15(13)19(17,18)14-8-4-5-12(9-14)10-16/h11-13,16H,3-10H2,1-2H3.
What are the key properties of [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol?
[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 290.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 83223644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).