1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol

C10H20N2O2S — CID 70236975

IUPAC1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol
SMILESCC1CCCN1S(=O)N1CCC(O)CC1
InChIInChI=1S/C10H20N2O2S/c1-9-3-2-6-12(9)15(14)11-7-4-10(13)5-8-11/h9-10,13H,2-8H2,1H3
InChIKeyWTCRTKBCYHXACB-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.51
Rot. Bonds2

About 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol

1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol (PubChem CID 70236975) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol
PubChem CID70236975
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol
SMILESCC1CCCN1S(=O)N1CCC(O)CC1
InChIInChI=1S/C10H20N2O2S/c1-9-3-2-6-12(9)15(14)11-7-4-10(13)5-8-11/h9-10,13H,2-8H2,1H3
InChIKeyWTCRTKBCYHXACB-UHFFFAOYSA-N
XLogP0.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxypiperidine-1-sulfinate
CID 66959105
(4R,7R)-1,7-dimethylazepan-4-ol
CID 167089908
(4S)-1-methylazepan-4-ol
CID 29414429
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
3-methylpiperidine-1-sulfinate
CID 59679552
1,2-dimethylpyrrolidine;methanol
CID 158560912
(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
1,2-dimethylpyrrolidine;2-methylbut-2-ene
CID 174662034
1-hydroxyazepan-4-ol
CID 57473453
6-hydroxy-2-methylazepane-1-carboxylic acid
CID 151434062
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 130877423
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol?
The IUPAC name of 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol (CID 70236975) is 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol.
What is the SMILES notation for 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol?
The canonical SMILES for 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol is CC1CCCN1S(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol?
The InChIKey is WTCRTKBCYHXACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9-3-2-6-12(9)15(14)11-7-4-10(13)5-8-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol?
1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol has a molecular weight of 232.35 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol is sourced from PubChem (CID 70236975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).