3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol

C11H23NOS — CID 103793456

IUPAC3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol
SMILESCC(O)C(C)SCCN1CCCCC1
InChIInChI=1S/C11H23NOS/c1-10(13)11(2)14-9-8-12-6-4-3-5-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyXTRORFRGNKQDRZ-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.97
Rot. Bonds5

About 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol

3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol (PubChem CID 103793456) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol
PubChem CID103793456
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol
SMILESCC(O)C(C)SCCN1CCCCC1
InChIInChI=1S/C11H23NOS/c1-10(13)11(2)14-9-8-12-6-4-3-5-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyXTRORFRGNKQDRZ-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
4-(2,2-Dimethylthiomorpholin-4-yl)butan-2-ol
CID 104319282
1-(2,2-Dimethylthiomorpholin-4-yl)butan-2-ol
CID 111930096
1-(Thiolan-3-ylmethyl)piperidin-4-ol
CID 128129137
2-Piperidinomethoxy-1-(ethylsulfanyl)pentane
CID 71536548
2-Piperidinomethyloxy-1-(propylsulfanyl)pentane
CID 129762442
1-(Butylsulfanyl)-2-piperidinomethoxypentane
CID 129765574
trans-4-Piperidinothiolan-3-ol
CID 129792297
cis-4-Piperidinothiolan-3-ol
CID 129792671
1-Fluoro-3-[4-(methylsulfanyl)piperidin-1-yl]propan-2-ol
CID 165587881
1-(2-Ethylthiomorpholin-4-yl)-3-fluoropropan-2-ol
CID 165587882
1-Fluoro-3-[3-(methylsulfanyl)piperidin-1-yl]propan-2-ol
CID 165600464

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol?
The IUPAC name of 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol (CID 103793456) is 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol.
What is the SMILES notation for 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol?
The canonical SMILES for 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol is CC(O)C(C)SCCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol?
The InChIKey is XTRORFRGNKQDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(13)11(2)14-9-8-12-6-4-3-5-7-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol?
3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethylsulfanyl)butan-2-ol is sourced from PubChem (CID 103793456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).