[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol

C12H24N2O3S — CID 112625660

IUPAC[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CCC1CCNCC1)N1CCC(CO)C1
InChIInChI=1S/C12H24N2O3S/c15-10-12-3-7-14(9-12)18(16,17)8-4-11-1-5-13-6-2-11/h11-13,15H,1-10H2
InChIKeySCKKHJIVOJTVAA-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.02
Rot. Bonds5

About [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol

[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 112625660) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID112625660
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CCC1CCNCC1)N1CCC(CO)C1
InChIInChI=1S/C12H24N2O3S/c15-10-12-3-7-14(9-12)18(16,17)8-4-11-1-5-13-6-2-11/h11-13,15H,1-10H2
InChIKeySCKKHJIVOJTVAA-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
CID 114777054
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
CID 63856417
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068407

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol (CID 112625660) is [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(CCC1CCNCC1)N1CCC(CO)C1.
What is the InChIKey of [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is SCKKHJIVOJTVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-10-12-3-7-14(9-12)18(16,17)8-4-11-1-5-13-6-2-11/h11-13,15H,1-10H2.
What are the key properties of [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 276.40 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112625660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).